AMLODIPINE
| SMILES | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl |
| InChIKey | HTIQEAQVCYTUBX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 408.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.58 | 6.58 | 6.58 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.27 | 5.27 | 5.27 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.22 | 6.22 | 6.22 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |