Molecule Details
InChIKeyABJZRFNMYUZPFJ-HEHXGUDPSA-N
Compound Name17-Diisopropylcarbamoyl-4,10,13-trimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carboxylic acid
Canonical SMILESCC1=C(C(=O)O)CC[C@@]2(C)C1=CCC1C2CC[C@@]2(C)C1CC[C@@H]2C(=O)N(C(C)C)C(C)C
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL7.46
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 7.5 pIC50 TTD_MultiTarget
P31213 SRD5A2 Homo sapiens Human PF02544 7.5 Ki ChEMBL;BindingDB
P31639 SLC5A2 Homo sapiens Human PF00474 7.5 pIC50 TTD_MultiTarget