CHEMBL40754


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cnccc54)c3=O)C[C@@H]21
InChIKey DTGRVNYCCXSWCG-KBXCAEBGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 448.2

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
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.48 8.48 8.48 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.43 9.43 9.43 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.28 9.28 9.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database