Molecule Details
InChIKeyBMHZAHGTGIZZCT-LJQANCHMSA-N
Compound Name(R)-minalrestat
Canonical SMILESO=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)c1ccc(F)cc12
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.15
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB07450
Drug Name(R)-minalrestat
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan
Cross-references: BindingDB: 50038843 CHEMBL292963 ChemSpider: 394897 PDB: BFI PubChem:447950 PubChem:99443921 ZINC: ZINC000000597385
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P14550 AKR1A1 Homo sapiens Human PF00248 8.2 IC50 BindingDB
P15121 AKR1B1 Homo sapiens Human PF00248 7.1 IC50 ChEMBL;BindingDB
O60218 AKR1B10 Homo sapiens Human PF00248 6.1 IC50 BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P15121 AKR1B1 Aldo-keto reductase family 1 member B1 binder targets