Molecule Details
| InChIKey | TZKBVRDEOITLRB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Olverembatinib |
| Canonical SMILES | Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2[nH]ncc2c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.97 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16185 |
|---|---|
| Drug Name | HQP1351 |
| CAS Number | 1257628-77-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | HQP1351 is under investigation in clinical trial NCT03883100 (A Pivotal Study of HQP1351 in Patients of Chronic Myeloid Leukemia in Accelerated Phase With T315I Mutation). |
Categories: Acids, Carbocyclic Amides Benzene Derivatives Benzoates Hydrocarbons, Acyclic
Cross-references: BindingDB: 50425780 CHEMBL2316582 ChemSpider: 29395146 PDB: T3X ZINC: ZINC000095594040
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 9.5 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.9 | IC50 | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.7 | IC50 | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 8.4 | IC50 | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.4 | IC50 | ChEMBL |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 7.0 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |