compound 21 [PMID: 22802221]
| SMILES | CCCCOC(=O)NS(=O)(=O)c1sc(cc1c1ccc(cc1)Cn1cncc1)CC(C)C |
| InChIKey | XTEOJPUYZWEXFI-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 475.2 |
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 |
| AT2 | AGTR2 | Human | Angiotensin | A | pKi | 9.4 | 9.4 | 9.4 | Guide to Pharmacology |
| AT2 | AGTR2 | Human | Angiotensin | A | pKi | 8.01 | 9.02 | 9.4 | ChEMBL |
| AT1 | AGTR1 | Human | Angiotensin | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
| AT1 | AGTR1 | Pig | Angiotensin | A | pKi | 9.4 | 9.4 | 9.4 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT2 | AGTR2 | Human | Angiotensin | A | pEC50 | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
| AT2 | AGTR2 | Rat | Angiotensin | A | pEC50 | 5.6 | 5.7 | 5.8 | Guide to Pharmacology |