Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0XQ5U
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| Former ID |
DNC008091
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| Drug Name |
C[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-Trp-Lys]-NH2
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| Synonyms |
CHEMBL253789; c[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-Trp-Lys]-NH2
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| Drug Type |
Small molecular drug
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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 |
C42H48N12O6
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| Canonical SMILES |
C1CCNC(=O)C2=NC=CN=C2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C1)C(=O)N)CC3=CNC4=CC=CC=C43)CCCN=C(N)N)CC5=CC6=CC=CC=C6C=C5
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| InChI |
1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-22H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44,45,49)/t30-,31-,32+,33-/m0/s1
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| InChIKey |
YIHQUVPRWHIYHB-SSNHPIBPSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Melanocortin receptor (MCR) | Target Info | Inhibitor | [1] |
| Melanocortin receptor 1 (MC1R) | Target Info | Inhibitor | [1] | |
| Melanocortin receptor 3 (MC3R) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Melanogenesis | ||||
| 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 | Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 ... J Med Chem. 2008 Jan 24;51(2):187-95. | |||
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