phenoxybenzamine
SMILES | ClCCN(C(COc1ccccc1)C)Cc1ccccc1 |
InChIKey | QZVCTJOXCFMACW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 303.1 |
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 |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.89 | 7.89 | 7.89 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.46 | 8.46 | 8.46 | PDSP Ki database |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Bovine | Dopamine | A | pKi | 6.85 | 6.85 | 6.85 | PDSP Ki database |
D1 | DRD1 | Bovine | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.45 | 7.45 | 7.45 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 7.2 | 7.2 | 7.2 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.14 | 8.14 | 8.14 | Drug Central |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.2 | 8.2 | 8.2 | Drug Central |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.6 | 4.85 | 5.1 | ChEMBL |