Molecule Details
InChIKeyRAKYKJWUUUKCCW-MPLBGYFPSA-N
Compound Name4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-(1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene)-1,3-Dihydro-Indol-2-One
Canonical SMILESCOc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@@H](O)[C@@H](N)[C@@H](C)O)c21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.52
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB03737
Drug Name4-((3r,4s,5r)-4-Amino-3,5-Dihydroxy-Hex-1-Ynyl)-5-Fluoro-3-[1-(3-Methoxy-1h-Pyrrol-2-Yl)-Meth-(Z)-Ylidene]-1,3-Dihydro-Indol-2-One
CAS Numbernan
Groups experimental
ATC Codes nan
Descriptionnan

Cross-references: BindingDB: 10109 CHEMBL354634 ChemSpider: 4450427 PDB: FMD PubChem:5288222 PubChem:46505468 ZINC: ZINC000014947116
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O96020 CCNE2 Homo sapiens Human PF02984 PF00134 8.5 IC50 ChEMBL
P24864 CCNE1 Homo sapiens Human PF02984 PF00134 8.5 IC50 ChEMBL
P24941 CDK2 Homo sapiens Human PF00069 8.5 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P24941 CDK2 Cyclin-dependent kinase 2 binder targets