Molecule Details
| InChIKey | WVXNSAVVKYZVOE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Rebastinib |
| Canonical SMILES | CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc4ncccc4c3)c(F)c2)ccn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 92 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.06 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB13005 |
|---|---|
| Drug Name | Rebastinib |
| CAS Number | 1020172-07-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Rebastinib has been used in trials studying the treatment of Chronic Myeloid Leukemia. It is an inhibitor of Tie2 tyrosine kinase receptor and an antineoplastic agent. |
Categories: Antineoplastic Agents Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Leukemia, Myelogenous, Chronic, BCR-ABL Positive, drug therapy Protein Kinase Inhibitors
Cross-references: BindingDB: 185674 ChEBI: 62166 CHEMBL1738757 ChemSpider: 26325986 PDB: 919 PubChem:25066467 PubChem:347829142 Wikipedia: Bcr-Abl_tyrosine-kinase_inhibitor ZINC: ZINC000063933734
Target Activities (92)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.9 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.7 | IC50 | ChEMBL |
| Q96S53 | TESK2 | Homo sapiens | Human | PF07714 | 8.7 | Kd | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.6 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.6 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.4 | IC50 | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.3 | IC50 | ChEMBL |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 8.3 | IC50 | ChEMBL |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 8.2 | IC50 | ChEMBL |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 8.2 | IC50 | ChEMBL |
| Q13546 | RIPK1 | Homo sapiens | Human | PF00531 PF07714 | 8.2 | IC50 | ChEMBL |
| Q00537 | CDK17 | Homo sapiens | Human | PF00069 | 8.2 | Kd | ChEMBL |
| Q12866 | MERTK | Homo sapiens | Human | PF00041 PF00047 PF13927 PF07714 | 8.1 | IC50 | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 8.0 | IC50 | ChEMBL |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 8.0 | IC50 | ChEMBL |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.9 | IC50 | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.8 | IC50 | ChEMBL |
| Q9UF33 | EPHA6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.8 | IC50 | ChEMBL |
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 7.7 | IC50 | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | IC50 | ChEMBL |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 7.5 | IC50 | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 7.5 | IC50 | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.4 | IC50 | ChEMBL |
| P51617 | IRAK1 | Homo sapiens | Human | PF00531 PF00069 | 7.4 | IC50 | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 7.4 | IC50 | ChEMBL |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.3 | IC50 | ChEMBL |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.3 | IC50 | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.3 | Kd | ChEMBL |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.2 | IC50 | ChEMBL |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.2 | IC50 | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | IC50 | ChEMBL |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 7.1 | IC50 | ChEMBL |
| Q15375 | EPHA7 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 7.1 | IC50 | ChEMBL |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | IC50 | ChEMBL |
| P41240 | CSK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.0 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 6.9 | IC50 | ChEMBL |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.9 | IC50 | ChEMBL |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.9 | IC50 | ChEMBL |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.9 | Kd | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.8 | IC50 | ChEMBL |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.8 | IC50 | ChEMBL |
| P43405 | SYK | Homo sapiens | Human | PF07714 PF00017 | 6.8 | IC50 | ChEMBL |
| P22455 | FGFR4 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.8 | IC50 | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.8 | IC50 | ChEMBL |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.7 | IC50 | ChEMBL |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 6.7 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| P51813 | BMX | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 | 6.7 | IC50 | ChEMBL |
| P10398 | ARAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.6 | IC50 | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | IC50 | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.6 | IC50 | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.6 | IC50 | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.6 | IC50 | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.6 | IC50 | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.6 | Kd | ChEMBL |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.6 | IC50 | ChEMBL |
| Q8TD08 | MAPK15 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.5 | IC50 | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | IC50 | ChEMBL |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| Q8IYT8 | ULK2 | Homo sapiens | Human | PF12063 PF21127 PF00069 | 6.5 | IC50 | ChEMBL |
| P07332 | FES | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.5 | IC50 | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.5 | IC50 | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.5 | IC50 | ChEMBL |
| Q9H3Y6 | SRMS | Homo sapiens | Human | PF07714 PF00017 | 6.4 | IC50 | ChEMBL |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 6.4 | Kd | ChEMBL |
| Q9HBH9 | MKNK2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.3 | IC50 | ChEMBL |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.3 | IC50 | ChEMBL |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 6.2 | Kd | ChEMBL |
| Q8TD19 | NEK9 | Homo sapiens | Human | PF00069 PF25390 | 6.2 | IC50 | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 6.2 | IC50 | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.2 | IC50 | ChEMBL |
| Q9BQI3 | EIF2AK1 | Homo sapiens | Human | PF22949 PF00069 | 6.2 | Kd | ChEMBL |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.2 | IC50 | ChEMBL |
| O43781 | DYRK3 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |