phenylephrine
| SMILES | CNC[C@@H](c1cccc(c1)O)O |
| InChIKey | SONNWYBIRXJNDC-VIFPVBQESA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 3 |
| Molecular weight (Da) | 167.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.9 | 5.15 | 5.4 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 3.9 | 3.9 | 3.9 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 4.7 | 4.7 | 4.7 | Guide to Pharmacology |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 4.89 | 4.89 | 4.89 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| β1 | ADRB1 | Rat | Adrenoceptors | A | pKi | 8.31 | 8.31 | 8.31 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.79 | 6.79 | 6.79 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 4.9 | 6.6 | 8.3 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 6.1 | 7.22 | 9.0 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pEC50 | 6.2 | 6.7 | 7.2 | Guide to Pharmacology |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pEC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 4.96 | 4.96 | 4.96 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 8.23 | 8.65 | 9.07 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 5.53 | 6.68 | 7.26 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 8.23 | 8.23 | 8.23 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.7 | 4.7 | 4.7 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pEC50 | 6.81 | 6.81 | 6.81 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pEC50 | 5.78 | 5.78 | 5.78 | ChEMBL |