bunolol
| SMILES | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O |
| InChIKey | IXHBTMCLRNMKHZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 291.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.26 | 9.26 | 9.26 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 6.2 | 6.25 | 6.3 | Guide to Pharmacology |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 9.26 | 9.26 | 9.26 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| β3 | ADRB3 | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| β3 | ADRB3 | Mouse | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| β3 | ADRB3 | Rat | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.4 | 8.4 | 8.4 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β3 | ADRB3 | Human | Adrenoceptors | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.1 | 5.1 | 5.1 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |