5-methylurapidil


SMILES COc1ccccc1N1CCN(CC1)CCCNc1c(C)c(=O)n(c(=O)n1C)C
InChIKey HIHZDNKKIUQQSC-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 401.2

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 8.9 9.05 9.2 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 5.6 6.8 8.0 Guide to Pharmacology
α1A ADA1A Rat Adrenoceptors A pKi 9.0 9.0 9.0 Guide to Pharmacology
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.46 9.46 9.46 PDSP Ki database
α1A Q9TSW7 Pig Adrenoceptors A pKi 7.5 8.53 9.1 PDSP Ki database
α1D ADA1D Human Adrenoceptors A pKi 9.2 9.2 9.2 PDSP Ki database
α1A ADA1A Bovine Adrenoceptors A pKi 8.36 8.83 9.3 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.15 9.15 9.15 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.64 8.92 9.2 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.74 7.07 7.4 PDSP Ki database
α1B ADA1B Human Adrenoceptors A pKi 6.27 6.9 7.4 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 6.1 6.9 7.7 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pKi 7.68 7.84 8.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.21 6.21 6.21 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.39 6.39 6.39 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.73 6.88 7.02 ChEMBL
α1A ADA1A Rabbit Adrenoceptors A pKd 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.5 4.62 4.75 ChEMBL