Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M1TF
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| Former ID |
DNC014383
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| Drug Name |
NSC-40331
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| Synonyms |
NSC-40331; 6312-41-0; CHEMBL1165143; DTXSID30676757; NSC40331; 2-(4-(4-(diethylamino)phenylamino)phenyl)-1-phenylethanone, hydrochloride; 2-{4-[4-(Diethylamino)anilino]phenyl}-1-phenylethan-1-one--hydrogen chloride (1/1)
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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 |
C24H27ClN2O
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| Canonical SMILES |
CCN(CC)C1=CC=C(C=C1)NC2=CC=C(C=C2)CC(=O)C3=CC=CC=C3.Cl
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| InChI |
1S/C24H26N2O.ClH/c1-3-26(4-2)23-16-14-22(15-17-23)25-21-12-10-19(11-13-21)18-24(27)20-8-6-5-7-9-20;/h5-17,25H,3-4,18H2,1-2H3;1H
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| InChIKey |
ACVBBILJICBIFG-UHFFFAOYSA-N
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| CAS Number |
CAS 6312-41-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholesteryl ester transfer protein (CETP) | Target Info | Inhibitor | [1] |
| Panther Pathway | CCKR signaling map ST | |||
| Reactome | LDL-mediated lipid transport | |||
| HDL-mediated lipid transport | ||||
| WikiPathways | Statin Pathway | |||
| Lipid digestion, mobilization, and transport | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic expl... Eur J Med Chem. 2010 Apr;45(4):1598-617. | |||
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