BI 1230


SMILES COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)CC5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)cc(-c3csc(NC(=O)C(C)C)n3)nc2c1C
InChIKey YQCVJBZPFAJZFJ-DVUQJCTJSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 9
Molecular weight (Da) 816.4

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2B ADA2B Human Adrenoceptors A pKi 5.35 5.35 5.35 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.48 5.49 5.49 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.44 5.44 5.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database