Molecule Details
InChIKeyNVHRBQOZEMFKLD-QRKINALSSA-N
Canonical SMILESC#CCN(c1ccc(C(=O)N[C@@H](CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)cc1)C1CCc2cc3nc(CO)[nH]c(=O)c3cc21
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Cross-Family
Avg pChEMBL8.96
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P03372 ESR1 Homo sapiens Human PF12743 PF00104 PF02159 PF00105 9.0 IC50 ChEMBL;BindingDB
P04818 TYMS Homo sapiens Human PF00303 8.9 IC50 ChEMBL;BindingDB