cyclopamine


SMILES O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
InChIKey QASFUMOKHFSJGL-LAFRSMQTSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 0
Molecular weight (Da) 411.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4O9R 6D32

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SMO SMO Human Frizzled F pKi 6.63 7.27 7.9 ChEMBL
SMO SMO Human Frizzled F pKd 6.94 7.43 7.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
SMO SMO Mouse Frizzled F pIC50 5.72 5.95 6.32 ChEMBL
SMO SMO Human Frizzled F pIC50 6.52 6.75 7.19 ChEMBL
SMO SMO Mouse Frizzled F pIC50 7.0 7.0 7.0 Guide to Pharmacology