telmisartan
| SMILES | CCCc1nc2c(n1Cc1ccc(cc1)c1ccccc1C(=O)O)cc(cc2C)c1nc2c(n1C)cccc2 |
| InChIKey | RMMXLENWKUUMAY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 514.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTRA | Rat | Angiotensin | A | pKi | 9.64 | 9.64 | 9.64 | ChEMBL |
| AT1 | AGTRA | Rat | Angiotensin | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 9.48 | 9.48 | 9.48 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 6.82 | 8.71 | 9.31 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 5.9 | 5.9 | 5.9 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.03 | 8.03 | 8.03 | Drug Central |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
| AT2 | AGTR2 | Human | Angiotensin | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |
| AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 8.07 | 8.07 | 8.07 | Drug Central |