Molecule Details
| InChIKey | GMIZZEXBPRLVIV-SECBINFHSA-N |
|---|---|
| Compound Name | Sch-900776 |
| Canonical SMILES | Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11899 |
|---|---|
| Drug Name | MK-8776 |
| CAS Number | 891494-63-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Sch 900776 has been used in trials studying the treatment of Neoplasms, Hodgkin Disease, Adult Erythroleukemia, Lymphoma, Non-Hodgkin, and Myelogenous Leukemia, Acute, among others. |
Cross-references: BindingDB: 50434372 CHEMBL2386889 ChemSpider: 28424100 PubChem:46239015 PubChem:347828232 ZINC: ZINC000060328032
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 8.5 | IC50 | ChEMBL;BindingDB |
| P43686 | PSMC4 | Homo sapiens | Human | PF00004 PF17862 PF16450 | 8.3 | Kd | ChEMBL |
| Q32MK0 | MYLK3 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.6 | Kd | ChEMBL |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.5 | Kd | ChEMBL |
| Q13163 | MAP2K5 | Homo sapiens | Human | PF00564 PF00069 | 6.2 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |