Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0KF9K
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| Former ID |
DNC006264
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| Drug Name |
Ac-Nle-c[Asp-His-DPhe-Arg-Trp-Lys]-NH2
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
Download2D MOL |
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| Formula |
C50H69N15O9
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| Canonical SMILES |
CCCCC(C(=O)NC1CC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=<br />O)C(NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=C<br />C=CC=C54)C(=O)N)NC(=O)C
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| InChI |
1S/C50H69N15O9/c1-3-4-16-36(59-29(2)66)44(69)65-41-25-42(67)55-20-11-10-18-35(43(51)68)60-47(72)39(23-31-26-57-34-17-9-8-15-33(31)34)63-45(70)37(19-12-21-56-50(52)53)61-46(71)38(22-30-13-6-5-7-14-30)62-48(73)40(64-49(41)74)24-32-27-54-28-58-32/h5-9,13-15,17,26-28,35-41,57H,3-4,10-12,16,18-25H2,1-2H3,(H2,51,68)(H,54,58)(H,55,67)(H,59,66)(H,60,72)(H,61,71)(H,62,73)(H,63,70)(H,64,74)(H,65,69)(H4,52,53,56)/t35-,36-,37-,38+,39-,40-,41-/m0/s1
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| InChIKey |
JDKLPDJLXHXHNV-MFVUMRCOSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocyte stimulating hormone receptor | Target Info | Inhibitor | [1] | |
| Melanocortin-4 receptor | Target Info | Inhibitor | [1] | ||
| Melanocortin-3 receptor | Target Info | Inhibitor | [1] | ||
| Melanocortin receptor | Target Info | Inhibitor | [1] | ||
| KEGG Pathway | Neuroactive ligand-receptor interaction | ||||
| Melanogenesishsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction | |||||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | ||||
| Reactome | Peptide ligand-binding receptors | ||||
| G alpha (s) signalling eventsR-HSA-375276:Peptide ligand-binding receptors | |||||
| G alpha (s) signalling events | |||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| GPCR downstream signaling | |||||
| References | |||||
| REF 1 | J Med Chem. 2009 Jun 25;52(12):3627-35.Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor. | ||||
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