Molecule Details
| InChIKey | VXBAJLGYBMTJCY-NSCUHMNNSA-N |
|---|---|
| Compound Name | Zotiraciclib |
| Canonical SMILES | CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 34 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.27 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16656 |
|---|---|
| Drug Name | Zotiraciclib |
| CAS Number | 1204918-72-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Zotiraciclib is under investigation in clinical trial NCT02942264 (Zotiraciclib (TG02) Plus Dose-dense or Metronomic Temozolomide Followed by Randomized Phase II Trial of Zotiraciclib (TG02) Plus Temozolomide Versus Temozolomide Alone in Adults With Recurrent Anaplastic Astrocytoma and Glioblastoma)... |
Categories: Cyclin-Dependent Kinases, antagonists & inhibitors Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50363196 CHEMBL1944698 ChemSpider: 20571045 Wikipedia: Zotiraciclib ZINC: ZINC000068251500
Target Activities (34)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.6 | IC50 | ChEMBL;BindingDB |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 8.4 | IC50 | ChEMBL;BindingDB |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 8.4 | IC50 | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.1 | IC50 | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 8.0 | IC50 | ChEMBL;BindingDB |
| P51948 | MNAT1 | Homo sapiens | Human | PF25811 PF06391 PF17121 | 8.0 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.9 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.9 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.9 | IC50 | ChEMBL |
| Q86TW2 | ADCK1 | Homo sapiens | Human | PF03109 | 7.6 | Kd | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.5 | pIC50 | TTD_MultiTarget |
| Q00536 | CDK16 | Homo sapiens | Human | PF00069 | 7.5 | Kd | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q13164 | MAPK7 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.2 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.1 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | pIC50 | TTD_MultiTarget |
| Q16513 | PKN2 | Homo sapiens | Human | PF02185 PF00069 PF00433 | 6.8 | Kd | ChEMBL |
| P22830 | FECH | Homo sapiens | Human | PF00762 | 6.6 | Kd | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 6.5 | Kd | ChEMBL |
| Q13188 | STK3 | Homo sapiens | Human | PF11629 PF00069 | 6.5 | Kd | ChEMBL |
| P18074 | ERCC2 | Homo sapiens | Human | PF06733 PF06777 PF13307 | 6.5 | Kd | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | Kd | ChEMBL |
| Q9BZL6 | PRKD2 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.3 | Kd | ChEMBL |
| O94806 | PRKD3 | Homo sapiens | Human | PF00130 PF00169 PF00069 PF25525 | 6.2 | Kd | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL |
| Q8IVH8 | MAP4K3 | Homo sapiens | Human | PF00780 PF00069 | 6.1 | Kd | ChEMBL |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 6.0 | Kd | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 6.0 | Kd | ChEMBL |