guanabenz


SMILES NC(=N/N=C\c1c(Cl)cccc1Cl)N
InChIKey WDZVGELJXXEGPV-PQMHYQBVSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 230.0

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations α2A

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 7.0 7.35 7.7 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 6.0 6.0 6.0 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKd 6.4 6.4 6.4 Guide to Pharmacology
α1B ADA1B Rat Adrenoceptors A pKi 6.12 6.12 6.12 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.17 7.17 7.17 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.79 6.79 6.79 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.93 5.93 5.93 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.97 6.97 6.97 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.95 6.95 6.95 ChEMBL
α2A ADA2A Pig Adrenoceptors A pKi 7.24 7.24 7.24 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 7.66 7.66 7.66 PDSP Ki database
α2B ADA2B Human Adrenoceptors A pKi 6.55 6.55 6.55 PDSP Ki database
α2C ADA2C Human Adrenoceptors A pKi 6.35 6.35 6.35 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.11 8.11 8.11 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pIC50 7.4 7.65 8.4 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pEC50 8.7 8.7 8.7 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pEC50 8.2 8.2 8.2 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pIC50 9.0 9.0 9.0 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pEC50 5.14 7.13 6.57 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pIC50 6.0 6.95 7.9 Guide to Pharmacology
TA1 TAAR1 Human Trace amine A pEC50 7.05 7.05 7.05 ChEMBL
TA1 TAAR1 Human Trace amine A pIC50 5.93 5.93 5.93 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.87 5.87 5.87 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.41 6.41 6.41 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.6 5.6 5.6 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 6.33 6.33 6.33 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 6.83 6.83 6.83 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.96 5.96 5.96 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 5.68 5.68 5.68 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.39 7.39 7.39 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.01 7.01 7.01 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.69 6.69 6.69 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.41 6.41 6.41 ChEMBL
TA1 TAAR1 Human Trace amine A pEC50 8.15 8.15 8.15 Drug Central
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 Drug Central
α1A ADA1A Rat Adrenoceptors A pIC50 8.19 8.19 8.19 Drug Central
NPS NPSR1 Human Neuropeptide S A Potency 5.5 5.5 5.5 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.6 4.6 4.6 ChEMBL