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 |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | α2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.63 | 6.63 | 6.63 | 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-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.93 | 5.93 | 5.93 | 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 |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.35 | 6.35 | 6.35 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.66 | 7.66 | 7.66 | PDSP Ki database |
| 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 |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.55 | 6.55 | 6.55 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.8 | 6.8 | 6.8 | 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 |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.83 | 6.83 | 6.83 | 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 |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.33 | 6.33 | 6.33 | 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-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.68 | 5.68 | 5.68 | 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 |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.96 | 5.96 | 5.96 | Guide to Pharmacology |
| 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 |