Drug Information

Drug General Information
Drug ID
D05EMV
Former ID
DIB018032
Drug Name
GR148672X
Drug Type
Small molecular drug
Indication Acute lymphoblastic leukemia [ICD9: 204.0, 556; ICD10:C91.0] Clinical trial [541808]
Structure
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2D MOL

3D MOL
Formula
C15H11F3N2O2S
InChI
InChI=1S/C15H11F3N2O2S/c1-9-4-2-5-10(8-9)19-20-12(14(22)15(16,17)18)13(21)11-6-3-7-23-11/h2-8,19H,1H3/b20-12-
InChIKey
YNUQHMHMYSUKFL-NDENLUEZSA-N
PubChem Compound ID
5899497
PubChem Substance ID
3169769, 12088291, 24613853, 39625903, 75248537, 83105567, 89775631, 114247342, 232068836
Target and Pathway
Target(s) Liver carboxylesterase Target Info Inhibitor [543651]
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
Ref 541808(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6701).
Ref 543651(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2592).

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