cyclopamine-KAAD


SMILES CC1CN(CCNC(=O)CCCCCNC(=O)CCc2ccccc2)C2C(C1)OC1(C2C)CCC2C(=C1C)CC1C2CC=C2C1(C)CCC(=O)C2
InChIKey WDHRPWOAMDJICD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 697.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Rat Adenosine A pKi 9.2 9.2 9.2 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Bovine Adenosine A pIC50 8.82 8.82 8.82 ChEMBL