Compound Detail
CHEMBL335535
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCN2C(=O)c1c(Cl)ccc(Cl)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL335535 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUYQXHDMZCASOQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.4
MW (Da)
5.87
ALogP
5
HBA
1
HBD
88.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.19 | 5.19 | 6500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 18.0 | nM | 7.75 | In vitro antagonist activity against angiotensin II receptor type 1 in rabbit ao... | 8277505 |
| Type-2 angiotensin II receptor | IC50 | = | 6500.0 | nM | 5.19 | In vitro antagonist activity against angiotensin II receptor type 2 in rat midbr... | 8277505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8277505 | 10.1021/jm00078a013 | Type-1 angiotensin II receptor | 1 |
| 8277505 | 10.1021/jm00078a013 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine