Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZD3M
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| Former ID |
DNC005541
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| Drug Name |
Ac-YCit[CEHdFRWC]-NH2
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| Synonyms |
CHEMBL412494; Ac-YCit[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 |
C60H78N18O14S2
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| Canonical SMILES |
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCNC(=O)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=CN3)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C65)C(=O)N
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| InChI |
1S/C60H78N18O14S2/c1-32(79)70-43(24-34-15-17-37(80)18-16-34)54(87)71-41(14-8-22-67-60(64)92)52(85)78-48-30-94-93-29-47(50(61)83)77-56(89)45(25-35-27-68-39-12-6-5-11-38(35)39)75-51(84)40(13-7-21-66-59(62)63)72-55(88)44(23-33-9-3-2-4-10-33)74-57(90)46(26-36-28-65-31-69-36)76-53(86)42(73-58(48)91)19-20-49(81)82/h2-6,9-12,15-18,27-28,31,40-48,68,80H,7-8,13-14,19-26,29-30H2,1H3,(H2,61,83)(H,65,69)(H,70,79)(H,71,87)(H,72,88)(H,73,91)(H,74,90)(H,75,84)(H,76,86)(H,77,89)(H,78,85)(H,81,82)(H4,62,63,66)(H3,64,67,92)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1
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| InChIKey |
OODHJMPCOPKKSM-XVRHLUALSA-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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