taladegib


SMILES Fc1ccc(c(c1)C(F)(F)F)C(=O)N(C1CCN(CC1)c1nnc(c2c1cccc2)c1ccnn1C)C
InChIKey SZBGQDXLNMELTB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 512.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 4JKV

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SMO SMO Human Frizzled F pIC50 8.2 8.2 8.2 Guide to Pharmacology
SMO SMO Mouse Frizzled F pIC50 8.62 8.77 8.93 ChEMBL
SMO SMO Human Frizzled F pIC50 6.4 7.39 8.38 ChEMBL