Molecule Details
| InChIKey | ACWKGTGIJRCOOM-HHHXNRCGSA-N |
|---|---|
| Compound Name | Atuveciclib |
| Canonical SMILES | COc1cc(F)ccc1-c1ncnc(Nc2cccc(C[S@](C)(=N)=O)c2)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.65 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB20084 |
|---|---|
| Drug Name | Atuveciclib |
| CAS Number | 1414943-94-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Atuveciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Atuveciclib is a cyclin dependant kinase inhibitor. Atuveciclib is under investigation in clinical trial NCT02345382 (Phase I Dose Escalation of BAY1143572 in Subjects With Acute Leukemia). Atuvecicl... |
Categories: Amides Sulfones Sulfur Compounds
Cross-references: BindingDB: 50528818 CHEMBL4439321
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 7.9 | IC50 | ChEMBL;BindingDB |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 7.9 | IC50 | ChEMBL |
| P49840 | GSK3A | Homo sapiens | Human | PF00069 | 7.3 | IC50 | ChEMBL |
| P49841 | GSK3B | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL |
| O75909 | CCNK | Homo sapiens | Human | PF00134 PF21797 | 6.8 | IC50 | ChEMBL |
| Q00526 | CDK3 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.0 | IC50 | ChEMBL |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.0 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.0 | IC50 | ChEMBL |