Molecule Details
| InChIKey | OTPNDVKVEAIXTI-UHFFFAOYSA-N |
|---|---|
| Compound Name | SB 218078 |
| Canonical SMILES | O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.51 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17051 |
|---|---|
| Drug Name | SB-218078 |
| CAS Number | 135897-06-2 |
| Groups | experimental |
| ATC Codes | nan |
| Description | SB-218078 is a specific inhibitor of CHK1.[A253117] |
Cross-references: BindingDB: 17140 ChEBI: 91500 CHEMBL304428 ChemSpider: 2632300
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 6.4 | pIC50 | TTD_MultiTarget |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.3 | IC50 | ChEMBL |
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 6.2 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.2 | pIC50 | TTD_MultiTarget |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |