Molecule Details
InChIKeyVXKTZBKORWNMBL-OPMJLWCUSA-N
Compound Name17-(N,N-Diisopropylcarboxamide)estra-1,3,5(10)-triene-3-carboxylic acid
Canonical SMILESCC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CCc4cc(C(=O)O)ccc4[C@H]3CC[C@]12C)C(C)C
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.86
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P31213 SRD5A2 Homo sapiens Human PF02544 8.2 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.7 pIC50 TTD_MultiTarget
P31639 SLC5A2 Homo sapiens Human PF00474 7.7 pIC50 TTD_MultiTarget