Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Z1QU
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| Former ID |
DNC005428
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| Drug Name |
MCL-129
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| Synonyms |
MCL-129; CHEMBL362985; SCHEMBL5318500; SLGLZEJKMBCODK-UHFFFAOYSA-N; BDBM50166529; PDSP2_001273; PDSP1_001289; 1-(2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl)-4-(4-(2-methoxynaphthalen-1-yl)butyl)piperazine; 1-[2-(4-fluorophenyl)-2-(4-isopropylhexahydro-1-pyrazinyl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]hexahydropyrazine; (+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[4-(2-methoxy-1-naphthyl)butyl]piperazine
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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 |
C34H47FN4O
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN2CCN(CC2)CCCCC3=C(C=CC4=CC=CC=C43)OC)C5=CC=C(C=C5)F
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| InChI |
1S/C34H47FN4O/c1-27(2)38-22-24-39(25-23-38)33(29-11-14-30(35)15-12-29)26-37-20-18-36(19-21-37)17-7-6-10-32-31-9-5-4-8-28(31)13-16-34(32)40-3/h4-5,8-9,11-16,27,33H,6-7,10,17-26H2,1-3H3
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| InChIKey |
SLGLZEJKMBCODK-UHFFFAOYSA-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 | Structure-activity relationships of novel piperazines as antagonists for the melanocortin-4 receptor. Bioorg Med Chem. 2007 Mar 1;15(5):1989-2005. | |||
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