Molecule Details
InChIKeyONSKSKMJNHEONW-XHCCPWGMSA-N
Compound Name3-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)-5,5-dimethyloxolan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
Canonical SMILESCC1(C)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@]1(O)CO
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.4
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P04629 NTRK1 Homo sapiens Human PF13855 PF16920 PF07714 PF18613 8.4 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 8.4 pIC50 TTD_MultiTarget
P35968 KDR Homo sapiens Human PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 8.4 IC50 ChEMBL;BindingDB