Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02JVA
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| Former ID |
DNC006267
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| Drug Name |
C[Nle-Arg-D-Nal(2')-Arg-Trp-Glu]-NH2
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| Synonyms |
CHEMBL204263; BDBM50184365
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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 |
C47H64N14O7
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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)CCCN=C(N)N
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| InChI |
1S/C47H64N14O7/c1-2-3-13-34-41(64)58-35(15-8-21-53-46(49)50)42(65)60-37(24-27-17-18-28-10-4-5-11-29(28)23-27)44(67)59-36(16-9-22-54-47(51)52)43(66)61-38(25-30-26-55-32-14-7-6-12-31(30)32)45(68)57-33(40(48)63)19-20-39(62)56-34/h4-7,10-12,14,17-18,23,26,33-38,55H,2-3,8-9,13,15-16,19-22,24-25H2,1H3,(H2,48,63)(H,56,62)(H,57,68)(H,58,64)(H,59,67)(H,60,65)(H,61,66)(H4,49,50,53)(H4,51,52,54)/t33-,34-,35+,36-,37+,38-/m0/s1
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| InChIKey |
UHCXNXMBPAFWDS-VRHOQGROSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor (MCR) | Target Info | Inhibitor | [1] |
| Melanocortin receptor 1 (MC1R) | 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 | |||
| Melanogenesis | ||||
| 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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