BMS-248360


SMILES CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)c(CN2CCC(C)(C)C2=O)c1
InChIKey NBDFXMDYBLSGLX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 659.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
AT1 AGTRB Rat Angiotensin A pKi 8.22 8.22 8.22 ChEMBL
ETA EDNRA Human Endothelin A pKi 8.7 8.71 8.72 ChEMBL
AT1 AGTR1 Human Angiotensin A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Human Endothelin A pIC50 8.7 8.7 8.7 ChEMBL
AT1 AGTR1 Human Angiotensin A pIC50 8.22 8.22 8.22 ChEMBL