Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D05EMT
|
|||
Former ID |
DNC007656
|
|||
Drug Name |
1,2-bis(2,5-difluorophenyl)ethane-1,2-dione
|
|||
Synonyms |
CHEMBL242721; 1,2-bis(2,5-difluorophenyl)ethane-1,2-dione; SCHEMBL3180092
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
|||
Formula |
C14H6F4O2
|
|||
Canonical SMILES |
C1=CC(=C(C=C1F)C(=O)C(=O)C2=C(C=CC(=C2)F)F)F
|
|||
InChI |
1S/C14H6F4O2/c15-7-1-3-11(17)9(5-7)13(19)14(20)10-6-8(16)2-4-12(10)18/h1-6H
|
|||
InChIKey |
IWSRHXHMXUIXCZ-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 | Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils. Bioorg Med Chem. 2007 Jun 1;15(11):3801-17. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.