Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07DWH
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| Former ID |
DNC005544
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| Drug Name |
Ac-dR[CEHdFRWC]-NH2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C51H70N18O11S2
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| Canonical SMILES |
CC(=O)NC(CCCN=C(N)N)C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O<br />)C(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)O)CC2=CN=CN2)CC3=CC=CC=<br />C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N
|
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| InChI |
1S/C51H70N18O11S2/c1-27(70)62-33(13-7-17-58-50(53)54)43(74)69-40-25-82-81-24-39(42(52)73)68-47(78)37(20-29-22-60-32-12-6-5-11-31(29)32)66-44(75)34(14-8-18-59-51(55)56)63-46(77)36(19-28-9-3-2-4-10-28)65-48(79)38(21-30-23-57-26-61-30)67-45(76)35(64-49(40)80)15-16-41(71)72/h2-6,9-12,22-23,26,33-40,60H,7-8,13-21,24-25H2,1H3,(H2,52,73)(H,57,61)(H,62,70)(H,63,77)(H,64,80)(H,65,79)(H,66,75)(H,67,76)(H,68,78)(H,69,74)(H,71,72)(H4,53,54,58)(H4,55,56,59)/t33-,34+,35-,36+,37-,38+,39-,40-/m0/s1
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| InChIKey |
UNXFCHHFXJFRRB-ABRXVHCYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocortin-3 receptor | Target Info | Inhibitor | [1] | |
| Melanocortin-4 receptor | Target Info | Inhibitor | [1] | ||
| Melanocyte stimulating hormone receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction | ||||
| Melanogenesis | |||||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | ||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (s) signalling eventsR-HSA-375276:Peptide ligand-binding receptors | |||||
| G alpha (s) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2005 May 5;48(9):3095-8.Discovery of a beta-MSH-derived MC-4R selective agonist. | ||||
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