Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05EMV
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| Former ID |
DIB018032
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| Drug Name |
GR148672X
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| Drug Type |
Small molecular drug
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| Indication | Acute lymphoblastic leukaemia [ICD-11: 2A85; ICD-10: C85.1, C88.7] | Clinical trial | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C15H11F3N2O2S
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| Canonical SMILES |
CC1=CC(=CC=C1)N=NC(=C(C2=CC=CS2)O)C(=O)C(F)(F)F
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| 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/h2-8,21H,1H3
|
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| InChIKey |
OETQEFUTOKYBSL-UHFFFAOYSA-N
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| CAS Number |
CAS 263890-70-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [2] |
| 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 | URL: 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 2 | URL: 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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