Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07UXW
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| Former ID |
DNC006272
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| Drug Name |
C[Nle-Asp-D-Nal(2')-Arg-Trp-Glu]-NH2
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| Synonyms |
CHEMBL409144; BDBM50184350
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C45H57N11O9
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| Canonical SMILES |
CCCCC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)N1)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4)CC(=O)O
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| InChI |
1S/C45H57N11O9/c1-2-3-12-32-40(61)56-36(23-38(58)59)44(65)54-34(21-25-15-16-26-9-4-5-10-27(26)20-25)42(63)53-33(14-8-19-49-45(47)48)41(62)55-35(22-28-24-50-30-13-7-6-11-29(28)30)43(64)52-31(39(46)60)17-18-37(57)51-32/h4-7,9-11,13,15-16,20,24,31-36,50H,2-3,8,12,14,17-19,21-23H2,1H3,(H2,46,60)(H,51,57)(H,52,64)(H,53,63)(H,54,65)(H,55,62)(H,56,61)(H,58,59)(H4,47,48,49)/t31-,32-,33-,34+,35-,36+/m0/s1
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| InChIKey |
VKDMHINLWUJYEZ-XBWXEZBPSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor (MCR) | Target Info | Inhibitor | [1] |
| Melanocortin receptor 3 (MC3R) | Target Info | Inhibitor | [1] | |
| Melanocortin receptor 4 (MC4R) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Development of cyclic gamma-MSH analogues with selective hMC3R agonist and hMC3R/hMC5R antagonist activities. J Med Chem. 2006 Mar 23;49(6):1946-52. | |||
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