Molecule Details
| InChIKey | QCZAWDGAVJMPTA-RNFRBKRXSA-N |
|---|---|
| Canonical SMILES | C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cccc(Cl)n2)n1)C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17097 |
|---|---|
| Drug Name | Vorasidenib |
| CAS Number | 1644545-52-7 |
| Groups | approved investigational |
| ATC Codes | L01XM04 |
| Description | Vorasidenib is a first-in-class dual isocitrate dehydrogenase-1 (IDH1) and isocitrate dehydrogenase-2 (IDH2) inhibitor.[A264209] It works by suppressing the levels of D-2-hydroxyglutarate (2-HG), an oncometabolite produced by mutant IDH1 and IDH2 isoforms.[L51139] Vorasidenib displayed improved brai... |
Categories: Amines Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Inducers Cytochrome P-450 CYP2C19 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Inducers Cytochrome P-450 CYP2C8 Inducers (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Substrates Enzyme Inhibitors Isocitrate Dehydrogenase 1 Inhibitor Isocitrate Dehydrogenase 2 Inhibitor Isocitrate dehydrogenase (IDH) inhibitors Isocitrate dehydrogenase-1 (IDH1) inhibitors Isocitrate dehydrogenase-2 (IDH2) Inhibitors Polyamines
Cross-references: BindingDB: 279948 CHEMBL4279047 ChemSpider: 64835242 Drugs Product Database (DPD): 24002 PDB: 9UO RxCUI: 2690647 Wikipedia: Vorasidenib
Target Activities (2)
DrugBank Target Actions (19)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inducer | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | inducer | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inducer | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| O43837 | O43837 | Isocitrate dehydrogenase [NAD] subunit beta, mitochondrial | inhibitor | targets |
| O75874 | IDH1 | Isocitrate dehydrogenase [NADP] cytoplasmic | inhibitor | targets |
| P48735 | IDH2 | Isocitrate dehydrogenase [NADP], mitochondrial | inhibitor | targets |
| P50213 | IDH3A | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial | inhibitor | targets |
| P51553 | P51553 | Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |