Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08XNQ
|
|||
| Former ID |
DNC001324
|
|||
| Drug Name |
SHU9119
|
|||
| Synonyms |
Shu 9119; (2S)-2-acetamido-N-[(3S,6S,13E)-14-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(2,3-dihydro-1H-indol-3-yl)propanoyl]amino]-3-(4H-imidazol-4-ylmethyl)-2,5,8,15-tetraoxo-1,4,9-triazacyclopentadec-13-en-6-yl]hexanamide; SHU9119; AC1O5TWM; GTPL1325; Ac-Nle(4)-c(asp(5)-2'-nal(7)-lys(10))alpha-msh(4-10)-NH2; Acetyl-norisoleucyl(4)-cyclo(aspartyl(5)-2'-naphthylalanyl(7)-lysyl(10))alpha-msh(4-10)-amide
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C54H71N15O9
|
|||
| Canonical SMILES |
CCCCC(C(=O)NC1CC(=O)NCCCC=C(C(=O)NC(=O)C(NC1=O)CC2C=NC=N2)NC(=O)C(CC3CNC4=CC=CC=C34)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)NC(=O)C
|
|||
| InChI |
1S/C54H71N15O9/c1-3-4-15-40(63-31(2)70)48(73)68-45-27-46(71)59-21-10-9-17-41(50(75)69-53(78)44(67-52(45)77)26-36-29-58-30-62-36)65-51(76)43(25-35-28-61-39-16-8-7-14-37(35)39)66-49(74)42(18-11-22-60-54(56)57)64-47(72)38(55)24-32-19-20-33-12-5-6-13-34(33)23-32/h5-8,12-14,16-17,19-20,23,29-30,35-36,38,40,42-45,61H,3-4,9-11,15,18,21-22,24-28,55H2,1-2H3,(H,59,71)(H,63,70)(H,64,72)(H,65,76)(H,66,74)(H,67,77)(H,68,73)(H4,56,57,60)(H,69,75,78)/b41-17+/t35?,36?,38-,40+,42+,43+,44+,45+/m1/s1
|
|||
| InChIKey |
ORTUTLYEGOSCRP-ATNXLWBUSA-N
|
|||
| CAS Number |
CAS 168482-23-3
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor 3 (MC3R) | Target Info | Antagonist | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1325). | |||
| REF 2 | Activation of melanocortin type 3 receptor as a molecular mechanism for adrenocorticotropic hormone efficacy in gouty arthritis. Arthritis Rheum. 2002 Oct;46(10):2765-75. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.