Molecule Details
InChIKeyBJNQKVADRDIKFO-GTFOYZODSA-N
Compound Name[(1S,3E,5S,9S,11S,15R,19R,23E,24S)-11-tert-butyl-1,15-dihydroxy-19-[(1R)-1-hydroxyethyl]-23-(2-methoxy-2-oxoethylidene)-2,2-dimethyl-17-oxo-6,12,18,25,26-pentaoxatricyclo[19.3.1.15,9]hexacos-3-en-24-yl] octanoate
Canonical SMILESCCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)CC2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)CCO[C@H](C(C)(C)C)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)6
Pfam Stratification Cross-Family
Avg pChEMBL7.55
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (6)
Target Gene Organism Category Pfam pChEMBL Type Source
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.2 pIC50 TTD_MultiTarget
Q05655 PRKCD Homo sapiens Human PF00130 PF21494 PF00069 PF00433 7.6 Ki ChEMBL;BindingDB
Q04759 PRKCQ Homo sapiens Human PF00130 PF21494 PF00069 PF00433 7.6 Ki ChEMBL;BindingDB
P05771 PRKCB Homo sapiens Human PF00130 PF00168 PF00069 PF00433 7.4 Ki ChEMBL;BindingDB
Q02156 PRKCE Homo sapiens Human PF00130 PF00168 PF00069 PF00433 7.3 Ki ChEMBL;BindingDB
P24723 PRKCH Homo sapiens Human PF00130 PF00168 PF00069 PF00433 7.2 Ki ChEMBL;BindingDB