Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07IBF
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| Former ID |
DNC005539
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| Drug Name |
Ac-YR[CE(1-Me-H)dFRWC]-NH2
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| Synonyms |
CHEMBL264132; Ac-YR[CE(1-Me-H)dFRWC]-NH2
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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 |
C61H81N19O13S2
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| Canonical SMILES |
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O)O)CC3=CN=CN3C)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N
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| InChI |
1S/C61H81N19O13S2/c1-33(81)71-44(25-35-16-18-38(82)19-17-35)55(89)72-42(15-9-23-69-61(65)66)53(87)79-49-31-95-94-30-48(51(62)85)78-57(91)46(26-36-28-70-40-13-7-6-12-39(36)40)76-52(86)41(14-8-22-68-60(63)64)73-56(90)45(24-34-10-4-3-5-11-34)75-58(92)47(27-37-29-67-32-80(37)2)77-54(88)43(74-59(49)93)20-21-50(83)84/h3-7,10-13,16-19,28-29,32,41-49,70,82H,8-9,14-15,20-27,30-31H2,1-2H3,(H2,62,85)(H,71,81)(H,72,89)(H,73,90)(H,74,93)(H,75,92)(H,76,86)(H,77,88)(H,78,91)(H,79,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1
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| InChIKey |
JCRBBWBYSVHLIT-PYPSSTHSSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor 4 (MC4R) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| 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 | Discovery of a beta-MSH-derived MC-4R selective agonist. J Med Chem. 2005 May 5;48(9):3095-8. | |||
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