AZ3451


SMILES N#Cc1ccc(cc1)NC(=O)c1ccc2c(c1)nc(n2[C@H](C1CCCCC1)C)c1cc2OCOc2cc1Br
InChIKey FJAOGFGHTPYADT-SFHVURJKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 570.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5NDZ

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 7.57 7.57 7.57 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.64 5.64 5.64 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.18 7.18 7.18 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.34 7.34 7.34 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.29 6.29 6.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pIC50 7.0 7.0 7.0 ChEMBL