Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X1YL
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| Former ID |
DNC005535
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| Drug Name |
Ac-YRC(Me)*EHdFRWC(Me)NH2
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| Synonyms |
CHEMBL427666; Ac-YRC(Me)*EHdFRWC(Me)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 |
C62H85N19O13S2
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| Canonical SMILES |
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CSC)C(=O)N
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| InChI |
1S/C62H85N19O13S2/c1-34(82)73-45(26-36-17-19-39(83)20-18-36)56(90)74-43(16-10-24-70-62(66)67)54(88)81-50(32-96-3)60(94)76-44(21-22-51(84)85)55(89)79-48(28-38-30-68-33-72-38)59(93)77-46(25-35-11-5-4-6-12-35)57(91)75-42(15-9-23-69-61(64)65)53(87)78-47(58(92)80-49(31-95-2)52(63)86)27-37-29-71-41-14-8-7-13-40(37)41/h4-8,11-14,17-20,29-30,33,42-50,71,83H,9-10,15-16,21-28,31-32H2,1-3H3,(H2,63,86)(H,68,72)(H,73,82)(H,74,90)(H,75,91)(H,76,94)(H,77,93)(H,78,87)(H,79,89)(H,80,92)(H,81,88)(H,84,85)(H4,64,65,69)(H4,66,67,70)/t42-,43-,44-,45-,46+,47-,48-,49-,50-/m0/s1
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| InChIKey |
PWVUYOZSIWYFJW-MYBKRMQRSA-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 | Discovery of a beta-MSH-derived MC-4R selective agonist. J Med Chem. 2005 May 5;48(9):3095-8. | |||
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