CGS 21680


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N
InChIKey PAOANWZGLPPROA-RQXXJAGISA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 499.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4UHR 4UG2

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