A-119637


SMILES COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1ccccc1
InChIKey HLVQBOYEHQRWHG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 462.2

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
α1A ADA1A Human Adrenoceptors A pKi 8.6 8.6 8.6 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 8.3 8.3 8.3 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 9.6 9.6 9.6 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 8.6 8.6 8.6 Guide to Pharmacology
α1D G3V8W0 Rat Adrenoceptors A pKi 9.7 9.7 9.7 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 9.56 9.56 9.56 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.33 8.33 8.33 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.07 8.07 8.07 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.61 8.61 8.61 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.6 9.6 9.6 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.13 7.13 7.13 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.3 7.3 7.3 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.58 8.59 8.59 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.11 7.11 7.11 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.69 8.69 8.69 ChEMBL
α2B ADA2B Rat Adrenoceptors A pKi 7.15 7.15 7.15 ChEMBL
D1 DRD1 Rat Dopamine A pKi 5.21 5.21 5.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database