phentolamine
| SMILES | Cc1ccc(cc1)N(c1cccc(c1)O)CC1=NCCN1 |
| InChIKey | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 281.2 |
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 |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.3 | 7.85 | 8.4 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.2 | 8.25 | 8.3 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.6 | 7.1 | 7.6 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.8 | 7.3 | 7.8 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.7 | 7.45 | 8.2 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.6 | 7.75 | 7.9 | Guide to Pharmacology |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pKi | 8.68 | 8.86 | 9.03 | ChEMBL |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.32 | 7.82 | 8.32 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.71 | 7.93 | 8.12 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.32 | 7.84 | 8.12 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.09 | 7.66 | 8.08 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.92 | 8.51 | 9.22 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKd | 7.49 | 7.49 | 7.49 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.25 | 8.32 | 8.77 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2A | ADA2A | Bovine | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2A | ADA2A | Rat | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1A | ADA1A | Rabbit | Adrenoceptors | A | pKd | 8.2 | 8.2 | 8.2 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.17 | 8.63 | 9.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2A | ADA2A | Human | Adrenoceptors | A | pEC50 | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 4.9 | 4.9 | 4.9 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.09 | 7.09 | 7.09 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 7.97 | 7.97 | 7.97 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.66 | 7.78 | 7.9 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.96 | 8.96 | 8.96 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.45 | 6.45 | 6.45 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.1 | 8.1 | 8.1 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.31 | 8.31 | 8.31 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.4 | 4.4 | 4.4 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.35 | 5.35 | 5.35 | ChEMBL |