Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05LLI
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| Former ID |
DNC006268
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| Drug Name |
C[Nle-Gln-D-Nal(2')-Arg-Trp-Glu]-NH2
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| Synonyms |
CHEMBL204310; BDBM50184355
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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 |
C46H60N12O8
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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)CCC(=O)N
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| InChI |
1S/C46H60N12O8/c1-2-3-12-33-41(62)56-35(17-19-38(47)59)43(64)57-36(23-26-15-16-27-9-4-5-10-28(27)22-26)44(65)55-34(14-8-21-51-46(49)50)42(63)58-37(24-29-25-52-31-13-7-6-11-30(29)31)45(66)54-32(40(48)61)18-20-39(60)53-33/h4-7,9-11,13,15-16,22,25,32-37,52H,2-3,8,12,14,17-21,23-24H2,1H3,(H2,47,59)(H2,48,61)(H,53,60)(H,54,66)(H,55,65)(H,56,62)(H,57,64)(H,58,63)(H4,49,50,51)/t32-,33-,34-,35-,36+,37-/m0/s1
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| InChIKey |
TUOOEJAUOYDGGA-BWBQVKFQSA-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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