RS-17053


SMILES Clc1ccc2c(c1)c(c[nH]2)CC(NCCOc1ccccc1OCC1CC1)(C)C
InChIKey XLZHXAXXJVKTFM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 412.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations α1A α1B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pKi 8.3 8.8 9.3 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 6.8 7.3 7.8 Guide to Pharmacology
α1A ADA1A Bovine Adrenoceptors A pKi 9.1 9.1 9.1 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 9.2 9.21 9.22 ChEMBL
α1A ADA1A Rabbit Adrenoceptors A pKd 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database