Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05XRI
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| Former ID |
DNC005543
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| Drug Name |
Ac-R[CEHdFRWC]-NH2
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| Synonyms |
CHEMBL408257; Ac-R[CEHdFRWC]-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 |
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)C(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)O)CC2=CN=CN2)CC3=CC=CC=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+/m1/s1
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| InChIKey |
UNXFCHHFXJFRRB-VYZFECEFSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 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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