Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C4XQ
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| Former ID |
DNC006404
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| Drug Name |
GB-12819
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| Synonyms |
GB-12819; CHEMBL433138; BDBM50116806; 4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-phenyl-propyl)-piperazin-1-ium
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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 |
C29H33F2NO
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| Canonical SMILES |
C1CN(CCC1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F
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| InChI |
1S/C29H33F2NO/c30-27-13-9-25(10-14-27)29(26-11-15-28(31)16-12-26)33-22-21-32-19-17-24(18-20-32)8-4-7-23-5-2-1-3-6-23/h1-3,5-6,9-16,24,29H,4,7-8,17-22H2
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| InChIKey |
VMIZSAUBUHOYHI-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking. J Med Chem. 2006 Apr 20;49(8):2417-30. | |||
| REF 2 | Synthesis and dopamine transporter binding affinities of 3alpha-benzyl-8-(diarylmethoxyethyl)-8-azabicyclo[3.2.1]octanes. Bioorg Med Chem Lett. 2002 Sep 2;12(17):2387-90. | |||
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