Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G2LF
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| Former ID |
DNC003204
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| Drug Name |
[(1e)-4-Phenylbut-1-Enyl]Benzene
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| Synonyms |
[(1E)-4-PHENYLBUT-1-ENYL]BENZENE; 1,4-DIPHENYL-1-BUTENE; 14213-84-4; AC1NR9PT; (E)-1,4-Diphenyl-1-butene; [(E)-4-phenylbut-1-enyl]benzene; ZINC14880527; [(1E)-4-phenyl-1-butenyl]benzene; [(E)-4-phenyl-but-1-enyl]-benzene; 1,1'-(1E)-but-1-ene-1,4-diyldibenzene
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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 |
C16H16
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| Canonical SMILES |
C1=CC=C(C=C1)CCC=CC2=CC=CC=C2
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| InChI |
1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-7,9-13H,8,14H2/b13-7+
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| InChIKey |
NJJOGKAVAWZLAU-NTUHNPAUSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Monoamine oxidase type B (MAO-B) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of tryptophan utilization | |||
| Tryptophan degradation via tryptamine | ||||
| Dopamine degradation | ||||
| Putrescine degradation III | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Glycine, serine and threonine metabolism | |||
| Arginine and proline metabolism | ||||
| Histidine metabolism | ||||
| Tyrosine metabolism | ||||
| Phenylalanine metabolism | ||||
| Tryptophan metabolism | ||||
| Drug metabolism - cytochrome P450 | ||||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Dopaminergic synapse | ||||
| Cocaine addiction | ||||
| Amphetamine addiction | ||||
| Alcoholism | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| 5-Hydroxytryptamine degredation | ||||
| Dopamine receptor mediated signaling pathway | ||||
| Pathway Interaction Database | Alpha-synuclein signaling | |||
| WikiPathways | Tryptophan metabolism | |||
| Dopamine metabolism | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
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