Molecule Details
| InChIKey | CVWXJKQAOSCOAB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Quizartinib |
| Canonical SMILES | CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4c(n3)sc3cc(OCCN5CCOCC5)ccc34)cc2)no1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 35 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12874 |
|---|---|
| Drug Name | Quizartinib |
| CAS Number | 950769-58-1 |
| Groups | approved investigational |
| ATC Codes | L01EX11 |
| Description | Quizartinib is an oral and potent fms-like tyrosine kinase 3 (FLT3) inhibitor and it is the first drug developed specifically targeting FLT3, as other agents with FLT3 inhibition activities were investigated with other targets in mind.[A260641] Additionally, quizartinib also demonstrates inhibitory ... |
Categories: Amides Antineoplastic Agents Antineoplastic and Immunomodulating Agents BCRP/ABCG2 Inhibitors Benzene Derivatives Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Substrates Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Kinase Inhibitor P-glycoprotein inhibitors P-glycoprotein substrates Protein Kinase Inhibitors Sulfur Compounds Thiazoles Tyrosine Kinase Inhibitors UGT1A1 Inhibitors
Cross-references: BindingDB: 50300690 ChEBI: 90217 CHEMBL576982 ChemSpider: 24640357 Drugs Product Database (DPD): 27066 D09955 PDB: P30 PubChem:24889392 PubChem:347829030 RxCUI: 2643048 Wikipedia: Quizartinib ZINC: ZINC000043204002
Target Activities (35)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 9.2 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 9.2 | IC50 | ChEMBL;BindingDB |
| Q9NWZ3 | IRAK4 | Homo sapiens | Human | PF07714 | 8.7 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.3 | IC50 | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 8.3 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 8.1 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 8.0 | Kd | ChEMBL;BindingDB |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.0 | Kd | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.9 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.7 | IC50 | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | Kd | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.1 | Kd | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.1 | Kd | ChEMBL;BindingDB |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.4 | Kd | ChEMBL |
| Q15746 | MYLK | Homo sapiens | Human | PF16620 PF00041 PF07679 PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.3 | Kd | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 6.2 | IC50 | ChEMBL |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.2 | Kd | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P35580 | MYH10 | Homo sapiens | Human | PF00612 PF00063 PF02736 PF01576 | 6.1 | Kd | ChEMBL |
| Q13546 | RIPK1 | Homo sapiens | Human | PF00531 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 6.0 | Kd | ChEMBL |
| O15146 | MUSK | Homo sapiens | Human | PF01392 PF07679 PF13927 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P36888 | FLT3 | Receptor-type tyrosine-protein kinase FLT3 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |