Molecule Details
| InChIKey | GAIOPWBQKZMUNO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Asnuciclib |
| Canonical SMILES | CNc1nc(C)c(-c2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2F)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.24 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB21530 |
|---|---|
| Drug Name | Asnuciclib |
| CAS Number | 1421693-22-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Asnuciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Asnuciclib is a cyclin dependant kinase inhibitor. Asnuciclib has a monoisotopic molecular weight of 394.07 Da. |
Categories: Amides Benzene Derivatives Sulfonamides Sulfones Sulfur Compounds
Cross-references: BindingDB: 50431360 CHEMBL2347597 ZINC: ZINC000095605236
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | Ki | ChEMBL |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | Ki | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 8.5 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 8.5 | Ki | ChEMBL;BindingDB |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 8.5 | Ki | ChEMBL |
| O60563 | CCNT1 | Homo sapiens | Human | PF00134 PF21797 | 8.4 | Ki | ChEMBL;BindingDB |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 8.4 | Ki | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL;BindingDB |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 8.4 | Ki | ChEMBL |
| P50750 | CDK9 | Homo sapiens | Human | PF00069 | 8.4 | Ki | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 8.4 | Ki | ChEMBL |
| P50613 | CDK7 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P51946 | CCNH | Homo sapiens | Human | PF16899 PF00134 | 7.0 | Ki | ChEMBL;BindingDB |