Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07TBR
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| Former ID |
DNC005536
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| Drug Name |
Ac-YR[CEH(d-2alpha-Nal)RWC]-NH2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C64H81N19O13S2
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| Canonical SMILES |
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CSS<br />CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O<br />)O)CC3=CNC=N3)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)CC6=CNC7=<br />CC=CC=C76)C(=O)N
|
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| InChI |
1S/C64H81N19O13S2/c1-34(84)75-47(25-35-15-18-41(85)19-16-35)58(92)76-45(13-7-23-72-64(68)69)56(90)83-52-32-98-97-31-51(54(65)88)82-60(94)49(27-39-29-73-43-11-5-4-10-42(39)43)80-55(89)44(12-6-22-71-63(66)67)77-59(93)48(26-36-14-17-37-8-2-3-9-38(37)24-36)79-61(95)50(28-40-30-70-33-74-40)81-57(91)46(78-62(52)96)20-21-53(86)87/h2-5,8-11,14-19,24,29-30,33,44-52,73,85H,6-7,12-13,20-23,25-28,31-32H2,1H3,(H2,65,88)(H,70,74)(H,75,84)(H,76,92)(H,77,93)(H,78,96)(H,79,95)(H,80,89)(H,81,91)(H,82,94)(H,83,90)(H,86,87)(H4,66,67,71)(H4,68,69,72)/t44-,45-,46+,47-,48-,49+,50-,51+,52+/m0/s1
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| InChIKey |
LZYYGZAXFMYSBE-UHFDWKIASA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocortin receptor | Target Info | Inhibitor | [1] | |
| 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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