Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U6XP
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| Former ID |
DNC009737
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| Drug Name |
Ac-Nle-c[Asp-His-DNaI(2')-Pro-Trp-Lys]-NH2
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| Synonyms |
CHEMBL194552; BDBM50268798
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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 |
C53H66N12O9
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| Canonical SMILES |
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC1=O)CC3=CN=CN3)CC4=CC5=CC=CC=C5C=C4)CC6=CNC7=CC=CC=C76)C(=O)N)NC(=O)C
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| InChI |
1S/C53H66N12O9/c1-3-4-15-40(59-31(2)66)48(69)62-43-27-46(67)56-21-10-9-17-39(47(54)68)60-49(70)41(25-35-28-57-38-16-8-7-14-37(35)38)63-52(73)45-18-11-22-65(45)53(74)44(24-32-19-20-33-12-5-6-13-34(33)23-32)64-50(71)42(61-51(43)72)26-36-29-55-30-58-36/h5-8,12-14,16,19-20,23,28-30,39-45,57H,3-4,9-11,15,17-18,21-22,24-27H2,1-2H3,(H2,54,68)(H,55,58)(H,56,67)(H,59,66)(H,60,70)(H,61,72)(H,62,69)(H,63,73)(H,64,71)/t39-,40-,41-,42-,43-,44+,45-/m0/s1
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| InChIKey |
NUEQNUVEEKTGQM-GTBIJRGCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor 1 (MC1R) | 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 | Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 rece... J Med Chem. 2009 Jun 25;52(12):3627-35. | |||
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