Molecule Details
| InChIKey | MTNBRBDFNSGQKB-GXTWGEPZSA-N |
|---|---|
| Compound Name | Tegtociclib |
| Canonical SMILES | COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)n(C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.1 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21635 |
|---|---|
| Drug Name | Tegtociclib |
| CAS Number | 2460249-19-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Tegtociclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Tegtociclib is a cyclin dependant kinase inhibitor. Tegtociclib is under investigation in clinical trial NCT05262400 (A Study to Learn About the Study Medicine (Called PF-07220060 in Combination With... |
Cross-references: BindingDB: 498185 CHEMBL5201870
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.9 | Ki | ChEMBL;BindingDB |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.9 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 7.0 | Ki | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 6.8 | Ki | ChEMBL;BindingDB |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 6.8 | Ki | BindingDB |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | Ki | ChEMBL;BindingDB |
| Q00534 | CDK6 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |