Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T95302 | Target Info | |||
| Target Name | Melanocortin receptor 5 (MC5R) | ||||
| Synonyms |
MC5-R; MC2; MC-2
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|
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| Target Type | Clinical trial Target | ||||
| Gene Name | MC5R | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 39 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(2S,4S)-4-Hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-1-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL9048; MK-69; BDBM50111189; N-[2-(1H-Imidazole-4-yl)ethyl]-1-(2-naphthylmethyl)-4alpha-hydroxy-L-prolinamide
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|
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| Activity |
Ki = 50000 nM
|
[1] | |||
| Compound Name |
1-(3-Aminocyclohexyl)-3-((1r,4r)-4-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL238158; BDBM50217702
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|
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| Activity |
Ki = 52000 nM
|
[2] | |||
| Compound Name |
(S)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(1H-indol-3-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL393383; BDBM50217693
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|
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| Activity |
Ki = 54000 nM
|
[2] | |||
| Compound Name |
N-(3-Aminopropyl)-N-(1-(benzo[b]thiophen-3-yl)ethyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394149; BDBM50217639
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|
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| Activity |
Ki = 55000 nM
|
[2] | |||
| Compound Name |
Nalpha-(2-Naphthylmethyl)-D-Arg-L-Trp-NH2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL447178; MK-30A; BDBM50111179
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|
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| Activity |
Ki = 56000 nM
|
[1] | |||
| Compound Name |
(E)-N-(4-Aminobutyl)-2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL236840; BDBM50217637
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|
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| Activity |
Ki = 56000 nM
|
[2] | |||
| Compound Name |
(E)-N-(3-Aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)-2-oxoacetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL235815; BDBM50217789
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|
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| Activity |
Ki = 58000 nM
|
[2] | |||
| Compound Name |
(S)-2-[(1H-Indol-3-ylmethyl)-amino]-3-naphthalen-2-yl-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL428480; MK-16; BDBM50111197; Nalpha-(1H-Indole-3-ylmethyl)-3-(2-naphthyl)-L-alaninamide
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|
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| Activity |
Ki = 60000 nM
|
[1] | |||
| Compound Name |
4-(2-Naphthylmethyl)-1-piperazinecarboxamidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8561; BDBM50111168; 4-Naphthalen-2-ylmethyl-piperazine-1-carboxamidine
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|
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| Activity |
Ki = 74000 nM
|
[3] | |||
| Compound Name |
Nalpha-(2-Naphthylmethyl)-L-Arg-L-Trp-NH2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8720; MK-29A; BDBM50111180
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|
||||
| Activity |
Ki = 74000 nM
|
[1] | |||
| Compound Name |
N-(2,6-Difluorobenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL235359; BDBM50217653
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|
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| Activity |
Ki = 83000 nM
|
[2] | |||
| Compound Name |
N-(2-Aminoethyl)-2-naphthalenemethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8743; SCHEMBL7245092; BDBM50111174; N'-(naphthalen-2-ylmethyl)ethane-1,2-diamine; N*1*-Naphthalen-2-ylmethyl-ethane-1,2-diamine
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|
||||
| Activity |
Ki = 83000 nM
|
[3] | |||
| Compound Name |
(Z)-N-(4-Aminobutyl)-N-(2-chloro-3-phenylallyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL236630; BDBM50217632
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|
||||
| Activity |
Ki = 85000 nM
|
[2] | |||
| Compound Name |
N-(4-(Methylthio)benzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL237290; BDBM50217756
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|
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| Activity |
Ki = 85000 nM
|
[2] | |||
| Compound Name |
(E)-N-(3-Aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396303; BDBM50217691
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|
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| Activity |
Ki = 89000 nM
|
[2] | |||
| Compound Name |
(E)-N-(3-Aminopropyl)-N-(2-methyl-3-phenylallyl)-4-(thiophen-2-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL394647; BDBM50217694
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|
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| Activity |
Ki = 91000 nM
|
[2] | |||
| Compound Name |
N-[(2R)-3-(4-Chlorophenyl)-1-(4-oxido-4-phenylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362010; BDBM50151503
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|
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| Activity |
Ki = 94000 nM
|
[4] | |||
| Compound Name |
(R)-2-[(1H-Indol-3-ylmethyl)-amino]-3-naphthalen-2-yl-propionamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL9219; MK-15; BDBM50111188; Nalpha-(1H-Indole-3-ylmethyl)-3-(2-naphthyl)-D-alaninamide
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|
||||
| Activity |
Ki = 95000 nM
|
[1] | |||
| Compound Name |
N-(4-((4-Aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL235139; BDBM50217680
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|
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| Activity |
Ki = 96000 nM
|
[2] | |||
| Compound Name |
Ac-c[Cys-Glu-Pro-D-Nal(2'')-Arg-Trp-Cys]-Pro-Pro-Lys-Asp-NH2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL268094; BDBM50131877
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|
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| Activity |
IC50 = 97000 nM
|
[5] | |||
| Compound Name |
N-(2-Chlorobenzyl)-4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL236626; BDBM50217766
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|
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| Activity |
Ki = 97000 nM
|
[2] | |||
| Compound Name |
CID 137639140
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4072638; BDBM50263393
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(3S)-3-Amino-4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1R,6aR,7S,10S,13S,16S,19S,22S,25S,31S,34S,37S,43S,46S,49S,55S,58S,61R,66R,69S,72S,75S,84S,88R,90S,93S,96S,99S)-19,37,49-tris(4-aminobutyl)-13,58-bis(2-amino-2-oxoethyl)-25,72-bis(3-amino-3-oxopropyl)-84-benzyl-93-(3-carbamimidamidopropyl)-46-(carboxymethyl)-6a-[[(2S)-1,6-diamino-1-oxohexan-2-yl]carbamoyl]-16,31-bis[(1R)-1-hydroxyethyl]-10,96,99-tris(hydroxymethyl)-75-(1H-imidazol-5-ylmethyl)-22,69,90-tris(2-methylpropyl)-a,2,8,8a,11,14,17,20,23,26,29,32,35,38,44,47,50,56,59,67,70,73,76,79,82,85,87,91,94,97-triacontaoxo-3a,4a,10a,11a,63,64-hexathia-1a,3,7a,9,12,15,18,21,24,27,30,33,36,39,45,48,51,57,60,68,71,74,77,80,83,86,89,92,95,98-triacontazahexacyclo[59.40.7.434,88.03,7.039,43.051,55]dodecahectan-66-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4065418; BDBM50263382
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
CID 137659949
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4097903; BDBM50263381
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-(1-Naphthylmethyl)-N-(2-naphthylmethyl)amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8129; Oprea1_758708; MLS000859006; HMS2798P17; ZINC4343360; BDBM50111163; MCULE-1376042569; SMR000459185; N-(2-Naphthylmethyl)-1-naphthalenemethanamine; Naphthalen-2-ylmethyl-naphthalen-1-ylmethyl-amine
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|
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| Activity |
Ki = 100000 nM
|
[3] | |||
| Compound Name |
2-[(1R,4S,7S,13S,16S,19R,22S,25S,28R,31S,37S,40S,46S)-19,46-Dibenzyl-4-[(2S)-butan-2-yl]-16,31-bis(3-carbamimidamidopropyl)-25-[(1R)-1-hydroxyethyl]-22-(1H-imidazol-5-ylmethyl)-13-(1H-indol-3-ylmethyl)-14,17,23-trimethyl-3,6,12,15,18,21,24,27,30,33,36,39,45,48-tetradecaoxo-50,51-dithia-2,5,11,14,17,20,23,26,29,32,35,38,44,47-tetradecazatetracyclo[26.20.4.07,11.040,44]dopentacontan-37-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4084386; BDBM50263852
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
CID 137651025
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4079142; BDBM50263383
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|
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| Activity |
EC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(R)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(4-nitrophenyl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL393382; BDBM50217755
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|
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| Activity |
Ki = 102000 nM
|
[2] | |||
| Compound Name |
N-[(2R)-3-(4-Chlorophenyl)-1-(4-cyclohexyl-4-oxidopiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL363757; BDBM50151508
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|
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| Activity |
Ki = 102000 nM
|
[4] | |||
| Compound Name |
N-(4-((4-Aminocyclohexyl)methyl)cyclohexyl)-N-benzyl-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL237919; N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-benzyl-4-(1H-indol-3-yl)butanamide; BDBM50217650
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|
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| Activity |
Ki = 105000 nM
|
[2] | |||
| Compound Name |
(R)-5-Guanidino-2-[(naphthalen-2-ylmethyl)-amino]-pentanoic acid amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL266055; MK-20; BDBM50111196; Nalpha-(2-Naphthylmethyl)-D-argininamide
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|
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| Activity |
Ki = 125000 nM
|
[1] | |||
| Compound Name |
(S)-5-Guanidino-2-[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-pentanoic acid amide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8676; MK-28; BDBM50111185
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|
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| Activity |
Ki = 130000 nM
|
[1] | |||
| Compound Name |
1-(Naphthalen-2-ylmethyl)piperazine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8756; 1-Naphthalen-2-ylmethyl-piperazine; Oprea1_775617; SCHEMBL593143; 1-(2-naphthylmethyl)-piperazine; 1-(beta-napthylmethyl)piperazine; CTK2E5435; DTXSID20358696; BDBM50111166; STL321465; ZINC20790799; AKOS009158679; 1-(2-NAPHTHYLMETHYL)PIPERAZINE; 1-[(naphthalen-2-yl)methyl]piperazine; MCULE-4088318939; NE51610; Piperazine, 1-(2-naphthalenylmethyl)-; DB-110844; BB 0249443; EN300-81737; Z1250089962
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|
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| Activity |
Ki = 141000 nM
|
[3] | |||
| Compound Name |
N-(3-Aminopropyl)-1H-indole-3-methanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8552; BDBM50111164; AKOS011608229; N*1*-(1H-Indol-3-ylmethyl)-propane-1,3-diamine
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|
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| Activity |
Ki = 150000 nM
|
[3] | |||
| Compound Name |
(R)-2-Amino-N-(5-aminopentyl)-N-benzyl-3-(1H-indol-3-yl)propanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL235355; BDBM50217758
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|
||||
| Activity |
Ki = 159000 nM
|
[2] | |||
| Compound Name |
N-(4-Aminobutyl)-N2-(2-naphthylmethyl)-N6-(1H-indole-3-ylmethyl)-L-lysinamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8418; BDBM50111172
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|
||||
| Activity |
Ki = 173000 nM
|
[3] | |||
| Compound Name |
1-((1r,4R)-4-Aminocyclohexyl)-3-((1r,4R)-4-(N-benzyl-4-(1H-indol-3-yl)butanamido)cyclohexyl)urea
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL429269; BDBM50217665
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|
||||
| Activity |
Ki = 176000 nM
|
[2] | |||
| Compound Name |
Nalpha-(1H-Indole-3-ylmethyl)-L-Arg-L-Trp-NH2
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL267007; MK-29B; BDBM50111190
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|
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| Activity |
Ki = 184000 nM
|
[1] | |||
| Compound Name |
N2-(2-Naphthylmethyl)-L-ornithine allyl ester
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|
Investigative | Compound Info | ||
| Synonyms |
MK-42; CHEMBL1159703
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|
||||
| Activity |
Ki = 200000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 13 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
N-(3-Guanidinopropyl)-1-(2-naphthylmethyl)-4alpha-hydroxy-L-prolinamide
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|
Investigative | Compound Info | ||
| Synonyms |
MK-70; CHEMBL1159700
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|
||||
| Activity |
Ki = 221000 nM
|
[1] | |||
| Compound Name |
3-(Piperazin-1-ylmethyl)-1H-indole
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|
Investigative | Compound Info | ||
| Synonyms |
3-Piperazin-1-ylmethyl-1H-indole; CHEMBL276397; 1H-Indole,3-(1-piperazinylmethyl)-; ACMC-1C6NR; SCHEMBL948663; CTK4A8882; ALBB-009662; 1-(1H-Indole-3-ylmethyl)piperazine; BDBM50111159; STK505991; ZINC22924625; AKOS005172105; QC-9778; AC-26732; AB0097921; FT-0723189; 746P666; 1H-indole, 3-(1-piperazinylmethyl)-, hydrochloride
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|
||||
| Activity |
Ki = 256000 nM
|
[3] | |||
| Compound Name |
N-(2-Bromo-4,5-dimethoxycinnamyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL397324; BDBM50217776
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|
||||
| Activity |
Ki = 266000 nM
|
[2] | |||
| Compound Name |
N-(3-Aminopropyl)-2-naphthalen-2-yl-N-(naphthalen-2-ylmethyl)acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL237528; BDBM50217654; N-(3-aminopropyl)-2-(naphthalen-2-yl)-N-(naphthalen-2-ylmethyl)acetamide
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|
||||
| Activity |
Ki = 267000 nM
|
[2] | |||
| Compound Name |
N-(3-Bromo-4-methoxybenzyl)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL429983; BDBM50217765
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|
||||
| Activity |
Ki = 278000 nM
|
[2] | |||
| Compound Name |
N-(4-Aminobutyl)-N-isopropyl-1H-indole-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL396179; BDBM50217668
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|
||||
| Activity |
Ki = 279000 nM
|
[2] | |||
| Compound Name |
2-(4-Hydroxybenzyl)-N-(4-aminobutyl)-N-isopropyl-1H-indole-3-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL236629; BDBM50217752
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|
||||
| Activity |
Ki = 353000 nM
|
[2] | |||
| Compound Name |
N-(4-(Diethylamino)benzyl)-4-(1H-indol-3-yl)-N-pentylbutanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL237478; BDBM50217774
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|
||||
| Activity |
Ki = 408000 nM
|
[2] | |||
| Compound Name |
N-((1R,2R)-2-Aminocyclohexyl)-N-cinnamyl-4-(1H-indol-3-yl)butanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL268395; BDBM50217701
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|
||||
| Activity |
Ki = 555000 nM
|
[2] | |||
| Compound Name |
N-(3-Aminopropyl)-5-(benzyloxy)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indole-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL237479; BDBM50217635
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|
||||
| Activity |
Ki = 681000 nM
|
[2] | |||
| Compound Name |
(1R,4S,6R)-N-[(2R)-1-[4-(Tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-7-methyl-7-azabicyclo[2.2.2]octane-6-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
RY764; RY-764; CHEMBL364346; GTPL1337; SCHEMBL14040521; BDBM50169442; RY 764; Q27088656
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|
||||
| Activity |
EC50 = 850000 nM
|
[8] | |||
| Compound Name |
(2S)-5-(Diaminomethylideneamino)-N-[3-(diaminomethylideneamino)propyl]-2-(naphthalen-2-ylmethylamino)pentanamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL313379; MK-55; BDBM50474237
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|
||||
| Activity |
Ki = 1000000 nM
|
[9] | |||
| Compound Name |
4-(1H-Indole-3-ylmethyl)-1-piperazinecarboxamidine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8598; BDBM50111171; 4-(1H-Indol-3-ylmethyl)-piperazine-1-carboxamidine
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|
||||
| Activity |
Ki > 1000000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | N-alkylaminoacids and their derivatives interact with melanocortin receptors. Bioorg Med Chem Lett. 2002 Apr 8;12(7):1039-42. | ||||
| REF 2 | Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core. Bioorg Med Chem. 2007 Sep 1;15(17):5787-810. | ||||
| REF 3 | Reductive amination products containing naphthalene and indole moieties bind to melanocortin receptors. Bioorg Med Chem Lett. 2002 Apr 8;12(7):1035-8. | ||||
| REF 4 | New substituted piperazines as ligands for melanocortin receptors. Correlation to the X-ray structure of "THIQ". J Med Chem. 2004 Aug 26;47(18):4613-26. | ||||
| REF 5 | Structure-activity relationships of novel cyclic alpha-MSH/beta-MSH hybrid analogues that lead to potent and selective ligands for the human MC3R and human MC5R. J Med Chem. 2003 Aug 14;46(17):3728-33. | ||||
| REF 6 | Human -Defensin 1 and -Defensin 3 (Mouse Ortholog mBD14) Function as Full Endogenous Agonists at Select Melanocortin Receptors. J Med Chem. 2018 Apr 26;61(8):3738-3744. | ||||
| REF 7 | Development of Novel Melanocortin Receptor Agonists Based on the Cyclic Peptide Framework of Sunflower Trypsin Inhibitor-1. J Med Chem. 2018 Apr 26;61(8):3674-3684. | ||||
| REF 8 | Discovery and activity of (1R,4S,6R)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxo... Bioorg Med Chem Lett. 2005 Aug 1;15(15):3501-5. | ||||
| REF 9 | QSAR and proteo-chemometric analysis of the interaction of a series of organic compounds with melanocortin receptor subtypes. J Med Chem. 2003 Jun 19;46(13):2572-9. | ||||
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