Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08EBV
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| Former ID |
DNC006107
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| Drug Name |
C[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-Ile-Pro]
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| Synonyms |
CHEMBL438596; c[Ser-Tyr-Thr-His-Dphe-Arg-Trp-Thr-Ile-Pro]
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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 |
C63H84N16O14
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| Canonical SMILES |
CCC(C)C1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CC3=CNC4=CC=CC=C43)CCCN=C(N)N)CC5=CC=CC=C5)CC6=CN=CN6)C(C)O)CC7=CC=C(C=C7)O)CO
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| InChI |
1S/C63H84N16O14/c1-5-33(2)50-62(93)79-24-12-18-49(79)59(90)75-48(31-80)58(89)72-45(26-37-19-21-40(83)22-20-37)56(87)77-51(34(3)81)60(91)74-47(28-39-30-66-32-69-39)55(86)71-44(25-36-13-7-6-8-14-36)54(85)70-43(17-11-23-67-63(64)65)53(84)73-46(57(88)78-52(35(4)82)61(92)76-50)27-38-29-68-42-16-10-9-15-41(38)42/h6-10,13-16,19-22,29-30,32-35,43-52,68,80-83H,5,11-12,17-18,23-28,31H2,1-4H3,(H,66,69)(H,70,85)(H,71,86)(H,72,89)(H,73,84)(H,74,91)(H,75,90)(H,76,92)(H,77,87)(H,78,88)(H4,64,65,67)/t33-,34-,35-,43+,44-,45+,46-,47+,48+,49+,50-,51+,52-/m1/s1
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| InChIKey |
FTGJNWCPPLBYMR-VTQDGRDPSA-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 | Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for... J Med Chem. 2006 Feb 9;49(3):911-22. | |||
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