Compound Detail
CHEMBL434768
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CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(=O)c2ccccc2)c(C)n1
Basic Information
| ChEMBL ID | CHEMBL434768 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFEPGTOTZOFEHZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.61
ALogP
6
HBA
1
HBD
93.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL1671613 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [125I]angiotensin binding to a guinea pig adrenal membrane prepara... | 8487261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8487261 | 10.1021/jm00061a016 | Type-1 angiotensin II receptor | 1 |
| 8487261 | 10.1021/jm00061a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine