Molecule Details
| InChIKey | OWBFCJROIKNMGD-BQYQJAHWSA-N |
|---|---|
| Compound Name | Rigosertib |
| Canonical SMILES | COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12146 |
|---|---|
| Drug Name | Rigosertib |
| CAS Number | 592542-59-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Rigosertib has been used in trials studying the treatment and basic science of MDS, RAEB, Cancer, Hepatoma, and Neoplasms, among others. |
Categories: Amino Acids Amino Acids, Peptides, and Proteins Antineoplastic Agents Enzyme Inhibitors Protein Kinase Inhibitors Sulfur Compounds
Cross-references: BindingDB: 50060917 ChEBI: 145417 CHEMBL1241855 ChemSpider: 5293927 PDB: 6FS PubChem:6918736 PubChem:347828442 Wikipedia: Rigosertib ZINC: ZINC000003942646