Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03WOU
|
|||
| Former ID |
DNC012872
|
|||
| Drug Name |
1,2-Di-naphthalen-2-yl-ethane-1,2-dione
|
|||
| Synonyms |
CHEMBL189162; 1,2-dinaphthalen-2-ylethane-1,2-dione; Bis(2-naphthyl)glyoxal; AC1MN9RI; 1,2-Di-naphthalen-2-yl-ethane-1,2-dione; SCHEMBL7220072; MolPort-003-808-637; ZINC5705162; BDBM50171924
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C22H14O2
|
|||
| Canonical SMILES |
C1=CC=C2C=C(C=CC2=C1)C(=O)C(=O)C3=CC4=CC=CC=C4C=C3
|
|||
| InChI |
1S/C22H14O2/c23-21(19-11-9-15-5-1-3-7-17(15)13-19)22(24)20-12-10-16-6-2-4-8-18(16)14-20/h1-14H
|
|||
| InChIKey |
CUUMQBIJNWGQLU-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Drug metabolism - other enzymes | |||
| Metabolic pathways | ||||
| Pathway Interaction Database | E2F transcription factor network | |||
| WikiPathways | NRF2 pathway | |||
| Nuclear Receptors Meta-Pathway | ||||
| Heroin metabolism | ||||
| Irinotecan Pathway | ||||
| Fluoropyrimidine Activity | ||||
| Phase I biotransformations, non P450 | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and t... J Med Chem. 2005 Aug 25;48(17):5543-50. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.