Molecule Details
| InChIKey | SGWLRDAOCLITOM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bos172722 |
| Canonical SMILES | CCOc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB15498 |
|---|---|
| Drug Name | BOS172722 |
| CAS Number | 1578245-44-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | BOS172722 is a novel and selective Monopolar spindle 1 (Mps1) kinase inhibitor identified as a potential anticancer agent.[A187123] Normally, Mps1 supports the proper division of cancer cells, ensuring survival and replication. The key role of Mps1 in the growth of cancer cells renders it an appeali... |
Cross-references: BindingDB: 241338 CHEMBL3924132 ChemSpider: 61730800 PDB: FMW
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P33981 | TTK | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 7.3 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.3 | Ki | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P33981 | TTK | Dual specificity protein kinase TTK | inhibitor | targets |