Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0A8ME
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| Former ID |
DNC005540
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| Drug Name |
Ac-[CEHdFRWC]-NH2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C45H58N14O10S2
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| Canonical SMILES |
CC(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(<br />NC1=O)CCC(=O)O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=C<br />NC5=CC=CC=C54)C(=O)N
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| InChI |
1S/C45H58N14O10S2/c1-24(60)53-36-22-71-70-21-35(38(46)63)59-42(67)33(17-26-19-51-29-11-6-5-10-28(26)29)57-39(64)30(12-7-15-50-45(47)48)54-41(66)32(16-25-8-3-2-4-9-25)56-43(68)34(18-27-20-49-23-52-27)58-40(65)31(55-44(36)69)13-14-37(61)62/h2-6,8-11,19-20,23,30-36,51H,7,12-18,21-22H2,1H3,(H2,46,63)(H,49,52)(H,53,60)(H,54,66)(H,55,69)(H,56,68)(H,57,64)(H,58,65)(H,59,67)(H,61,62)(H4,47,48,50)/t30-,31+,32-,33+,34-,35+,36+/m0/s1
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| InChIKey |
DCRRHKOGXQUJTJ-VCFUPWAGSA-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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