ANTA XV


SMILES CC(c1ccc(nc1)N1CCN(CC1)c1nnc(c2c1cccc2)Cc1ccccc1)(O)C
InChIKey KSWYJUIFHPSZOL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 439.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4QIM

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 Mouse Frizzled F pIC50 8.15 8.15 8.15 Guide to Pharmacology
SMO SMO Human Frizzled F pIC50 8.1 8.1 8.1 ChEMBL
SMO SMO Mouse Frizzled F pIC50 7.46 8.11 8.57 ChEMBL