NAFTOPIDIL
| SMILES | COc1ccccc1N1CCN(CC(O)COc2cccc3ccccc23)CC1 |
| InChIKey | HRRBJVNMSRJFHQ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 392.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 6.84 | 7.57 | 7.93 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 6.75 | 6.75 | 6.75 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 7.48 | 7.48 | 7.48 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.23 | 8.33 | 8.43 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| β2 | ADRB2 | Dog | Adrenoceptors | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 6.2 | 6.2 | 6.2 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |