brimonidine (UK14304)


SMILES Brc1c(ccc2c1nccn2)NC1=NCCN1
InChIKey XYLJNLCSTIOKRM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight (Da) 291.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7EJ8
Ligand site mutations α2A α2B

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 6.4 7.55 8.7 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKd 9.1 9.1 9.1 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 5.5 6.9 8.3 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 5.7 6.65 7.6 Guide to Pharmacology
α2B ADA2B Rat Adrenoceptors A pKi 7.28 7.28 7.28 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.27 5.27 5.27 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.59 5.59 5.59 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.03 6.05 6.07 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.32 6.89 7.46 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.08 7.22 7.36 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.55 5.55 5.55 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.84 5.84 5.84 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.95 7.9 8.57 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.02 6.02 6.02 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 5.71 5.71 5.71 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 6.67 6.67 6.67 PDSP Ki database
α2A ADA2A Mouse Adrenoceptors A pKi 7.36 7.36 7.36 PDSP Ki database
α1A ADA1A Human Adrenoceptors A pKi 8.26 8.26 8.26 Drug Central
α1B ADA1B Human Adrenoceptors A pKi 8.28 8.28 8.28 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.22 8.22 8.22 Drug Central
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
α2B ADA2B Rat Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α2A ADA2A Pig Adrenoceptors A pKi 6.32 6.32 6.32 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pEC50 9.1 9.1 9.1 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pIC50 8.9 8.9 8.9 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pEC50 7.5 7.5 7.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pIC50 8.4 8.4 8.4 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pIC50 8.0 8.25 8.5 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pEC50 5.88 7.29 6.88 Guide to Pharmacology
α2B ADA2B Rat Adrenoceptors A pEC50 7.26 7.26 7.26 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.2 5.2 5.2 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.76 5.76 5.76 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 5.98 5.98 5.98 ChEMBL
α2B ADA2B Human Adrenoceptors A pEC50 6.55 6.55 6.55 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 8.02 8.2 8.47 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.59 5.59 5.59 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.53 6.53 6.53 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.39 8.89 9.21 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 8.08 8.08 8.08 Drug Central
α2B ADA2B Human Adrenoceptors A pEC50 8.14 8.14 8.14 Drug Central
α2C ADA2C Human Adrenoceptors A pEC50 8.07 8.07 8.07 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 Drug Central
α1A ADA1A Bovine Adrenoceptors A pEC50 8.23 8.23 8.23 Drug Central
α1A ADA1A Bovine Adrenoceptors A pEC50 5.95 5.95 5.95 ChEMBL