Drug Information
Drug General Information | Top | |||
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Drug ID |
D0XT0I
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Former ID |
DNC003475
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Drug Name |
BIA
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Synonyms |
UNII-X6H65DT067; X6H65DT067; 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE; BIA-3-335; BIA-3-335 free base; 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one; 1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one; 1h1d; AC1N9ZVE; CHEMBL387347; DB03336; 747401-28-1; 1-Propanone, 1-(3,4-dihydroxy-5-nitrophenyl)-3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-
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Drug Type |
Small molecular drug
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Indication | Non-insulin dependent diabetes [ICD-11: 5A11] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C20H20F3N3O5
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Canonical SMILES |
C1CN(CCN1CCC(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-])C3=CC=CC(=C3)C(F)(F)F
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InChI |
1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2
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InChIKey |
KVIVJQWOYSWCCZ-UHFFFAOYSA-N
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CAS Number |
CAS 747401-28-1
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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Target(s) | Catechol-O-methyl-transferase (COMT) | Target Info | Inhibitor | [1] |
BioCyc | L-dopa degradation | |||
Dopamine degradation | ||||
Noradrenaline and adrenaline degradation | ||||
KEGG Pathway | Steroid hormone biosynthesis | |||
Tyrosine metabolism | ||||
Metabolic pathways | ||||
Dopaminergic synapse | ||||
Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
Dopamine receptor mediated signaling pathway | ||||
Pathwhiz Pathway | Tyrosine Metabolism | |||
WikiPathways | Methylation Pathways | |||
Metapathway biotransformation | ||||
Estrogen metabolism | ||||
Biogenic Amine Synthesis | ||||
Dopamine metabolism | ||||
Phase II conjugation | ||||
Neurotransmitter Clearance In The Synaptic Cleft |
References | Top | |||
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REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. |
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