A-123189


SMILES COc1ccccc1N1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)c(cs2)c1cccc(c1)C
InChIKey PANBMHHKBRMYAL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 476.2

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
α1A ADA1A Human Adrenoceptors A pKi 8.4 8.4 8.4 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 8.0 8.0 8.0 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 9.5 9.5 9.5 Guide to Pharmacology
α1D ADA1D Rat Adrenoceptors A pKi 9.8 9.8 9.8 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 8.5 8.5 8.5 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 9.46 9.46 9.46 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 9.77 9.77 9.77 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 10.7 10.7 10.7 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 8.76 8.76 8.76 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.04 8.04 8.04 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.36 8.36 8.36 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.46 8.46 8.46 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.09 7.09 7.09 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.38 8.38 8.38 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.08 7.08 7.08 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 9.51 9.51 9.51 ChEMBL
α2B ADA2B Rat Adrenoceptors A pKi 7.18 7.18 7.18 ChEMBL
D1 DRD1 Rat Dopamine A pKi 4.91 4.91 4.91 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.77 7.77 7.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database