phenylephrine


SMILES CNC[C@@H](c1cccc(c1)O)O
InChIKey SONNWYBIRXJNDC-VIFPVBQESA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 167.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations α1A α1B α2A β2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.9 5.9 5.9 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pKi 4.89 4.89 4.89 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.79 6.79 6.79 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 5.2 5.3 5.4 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 8.16 8.16 8.16 Drug Central
β2 ADRB2 Human Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
α1D ADA1D Rat Adrenoceptors A pKi 5.9 5.9 5.9 Guide to Pharmacology
α1B ADA1B Golden hamster Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
α1A ADA1A Bovine Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
β1 ADRB1 Rat Adrenoceptors A pKi 8.31 8.31 8.31 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Bovine Adrenoceptors A pEC50 8.05 8.05 8.05 ChEMBL
α1D ADA1D Rat Adrenoceptors A pEC50 6.81 6.81 6.81 ChEMBL
α1B ADA1B Rat Adrenoceptors A pEC50 4.96 4.96 4.96 ChEMBL
α1B ADA1B Human Adrenoceptors A pEC50 8.23 8.65 9.07 ChEMBL
α1A ADA1A Rat Adrenoceptors A pEC50 5.78 5.78 5.78 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 6.47 6.47 6.47 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 5.53 6.68 7.26 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.51 6.51 6.51 ChEMBL
α1B ADA1B Human Adrenoceptors A pIC50 6.3 6.9 7.5 Guide to Pharmacology
α1D ADA1D Human Adrenoceptors A pIC50 8.23 8.23 8.23 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL