Molecule Details
| InChIKey | GCIKSSRWRFVXBI-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tozasertib |
| Canonical SMILES | Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 109 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19675 |
|---|---|
| Drug Name | Tozasertib |
| CAS Number | 639089-54-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tozasertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Tozasertib is a serine/threonine kinase inhibitor. Tozasertib is under investigation in clinical trial NCT02532868 (A VX-680 (an Aurora Kinase Inhibitor) Study in Patients With Advanced Cancer (0457-0... |
Categories: Cycloparaffins Protein Kinase Inhibitors
Cross-references: BindingDB: 50004205 ChEBI: 91336 CHEMBL572878 PDB: VX6 ZINC: ZINC000003820040
Target Activities (109)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9NWT8 | AURKAIP1 | Homo sapiens | Human | PF08213 | 9.2 | Ki | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 8.8 | IC50 | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 8.4 | Kd | ChEMBL;BindingDB |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 8.4 | pIC50 | TTD_MultiTarget |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.4 | pIC50 | TTD_MultiTarget |
| Q9UQB9 | AURKC | Homo sapiens | Human | PF00069 | 8.3 | Ki | ChEMBL;BindingDB |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 8.0 | Ki | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.9 | Kd | ChEMBL;BindingDB |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 7.8 | Kd | ChEMBL;BindingDB |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13546 | RIPK1 | Homo sapiens | Human | PF00531 PF07714 | 7.7 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.6 | Kd | ChEMBL;BindingDB |
| O15197 | EPHB6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 7.5 | Kd | ChEMBL;BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.5 | Kd | ChEMBL;BindingDB |
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 7.5 | Ki | BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.5 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.5 | Kd | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.5 | Ki | ChEMBL |
| P80370 | DLK1 | Homo sapiens | Human | PF00008 | 7.5 | Ki | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.4 | Kd | ChEMBL;BindingDB |
| Q9H1R3 | MYLK2 | Homo sapiens | Human | PF00069 | 7.4 | Kd | ChEMBL;BindingDB |
| P11274 | BCR | Homo sapiens | Human | PF09036 PF00168 PF19057 PF00620 PF00621 | 7.3 | Ki | ChEMBL |
| Q92772 | CDKL2 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| Q56UN5 | MAP3K19 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | Kd | ChEMBL;BindingDB |
| Q9NSY1 | BMP2K | Homo sapiens | Human | PF15282 PF00069 | 7.2 | Kd | ChEMBL;BindingDB |
| Q92918 | MAP4K1 | Homo sapiens | Human | PF00780 PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q96SB4 | SRPK1 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9H2K8 | TAOK3 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.1 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.0 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 6.9 | Kd | ChEMBL;BindingDB |
| Q99755 | PIP5K1A | Homo sapiens | Human | PF01504 | 6.9 | Kd | ChEMBL;BindingDB |
| P78356 | PIP4K2B | Homo sapiens | Human | PF01504 | 6.8 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Kd | ChEMBL;BindingDB |
| O43283 | MAP3K13 | Homo sapiens | Human | PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| O43293 | DAPK3 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.7 | Kd | ChEMBL;BindingDB |
| Q12852 | MAP3K12 | Homo sapiens | Human | PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| O60285 | NUAK1 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q13043 | STK4 | Homo sapiens | Human | PF11629 PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| Q9BWU1 | CDK19 | Homo sapiens | Human | PF00069 | 6.7 | Ki | ChEMBL |
| P30530 | AXL | Homo sapiens | Human | PF00041 PF13927 PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 6.6 | Kd | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9UPE1 | SRPK3 | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9BVS4 | RIOK2 | Homo sapiens | Human | PF01163 PF09202 | 6.6 | Kd | ChEMBL;BindingDB |
| Q9UQ88 | CDK11A | Homo sapiens | Human | PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 6.6 | Kd | ChEMBL;BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| P14616 | INSRR | Homo sapiens | Human | PF00041 PF00757 PF07714 PF01030 | 6.5 | Kd | ChEMBL;BindingDB |
| P21127 | CDK11B | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q15391 | P2RY14 | Homo sapiens | Human | PF00001 | 6.5 | Kd | BindingDB |
| Q2M2I8 | AAK1 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| O15146 | MUSK | Homo sapiens | Human | PF01392 PF07679 PF13927 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| P57078 | RIPK4 | Homo sapiens | Human | PF12796 PF13637 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.5 | Kd | ChEMBL;BindingDB |
| Q6PHR2 | ULK3 | Homo sapiens | Human | PF04212 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | Ki | ChEMBL |
| P54646 | PRKAA2 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q08881 | ITK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.5 | Kd | ChEMBL;BindingDB |
| Q8IVW4 | CDKL3 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL;BindingDB |
| Q9BRS2 | RIOK1 | Homo sapiens | Human | PF01163 | 6.4 | Kd | ChEMBL;BindingDB |
| P80192 | MAP3K9 | Homo sapiens | Human | PF07714 PF14604 | 6.4 | Kd | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P32298 | GRK4 | Homo sapiens | Human | PF00069 PF00615 | 6.4 | Kd | ChEMBL;BindingDB |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q02779 | MAP3K10 | Homo sapiens | Human | PF07714 PF14604 | 6.4 | Ki | ChEMBL |
| Q9UL54 | TAOK2 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 6.3 | Kd | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9UHD2 | TBK1 | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.3 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.3 | Kd | ChEMBL;BindingDB |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.3 | Ki | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 6.3 | Kd | ChEMBL | |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | Kd | ChEMBL;BindingDB |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL;BindingDB |
| P0C264 | SBK3 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| Q9H093 | NUAK2 | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.3 | Kd | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| O14730 | RIOK3 | Homo sapiens | Human | PF01163 | 6.2 | Kd | ChEMBL;BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P06213 | INSR | Homo sapiens | Human | PF00757 PF17870 PF07714 PF01030 | 6.2 | Kd | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | Kd | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.2 | Ki | ChEMBL |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.2 | Kd | ChEMBL;BindingDB |
| P78362 | SRPK2 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q16584 | MAP3K11 | Homo sapiens | Human | PF07714 PF14604 | 6.2 | Kd | ChEMBL;BindingDB |
| P08069 | IGF1R | Homo sapiens | Human | PF00757 PF07714 PF01030 | 6.1 | Kd | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P53667 | LIMK1 | Homo sapiens | Human | PF00412 PF00595 PF07714 | 6.1 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.1 | Ki | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.1 | Kd | ChEMBL;BindingDB |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.0 | Kd | ChEMBL;BindingDB |
| Q7KZI7 | MARK2 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.0 | Ki | ChEMBL |
| Q96L34 | MARK4 | Homo sapiens | Human | PF02149 PF00069 PF00627 | 6.0 | Ki | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.0 | Ki | ChEMBL |