EXP3174
| SMILES | CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)O)Cl |
| InChIKey | ZEUXAIYYDDCIRX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 436.1 |
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 |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pKd | 10.09 | 10.09 | 10.09 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 7.4 | 8.44 | 9.49 | Guide to Pharmacology |
| AT1 | AGTR1 | Bovine | Angiotensin | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| AT1 | AGTRB | Rat | Angiotensin | A | pIC50 | 7.43 | 8.04 | 8.74 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
| AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 4.3 | 4.3 | 4.3 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 7.43 | 8.2 | 8.55 | ChEMBL |