AVE 0991


SMILES CCNC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1c(nc(c1C=O)OC)c1ccccc1)CC(C)C
InChIKey QTOZBSNPDCWHPV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 580.2

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
α2C ADA2C Rat Adrenoceptors A pKi 7.12 7.12 7.12 PDSP Ki database
α2B ADA2B Rat Adrenoceptors A pKi 7.12 7.12 7.12 PDSP Ki database
α2A ADA2A Bovine Adrenoceptors A pKi 7.21 7.21 7.21 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2C ADA2C Human Adrenoceptors A pEC50 5.91 5.91 5.91 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 7.07 7.07 7.07 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.23 8.23 8.23 Drug Central
α1A ADA1A Bovine Adrenoceptors A pEC50 8.18 8.18 8.18 Drug Central
α2A ADA2A Human Adrenoceptors A pEC50 8.15 8.15 8.15 Drug Central
α1A ADA1A Bovine Adrenoceptors A pEC50 6.58 6.58 6.58 ChEMBL