Compound Detail
CHEMBL302973
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O=C(O)c1cccc2nc(OCC(F)(F)F)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL302973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAOCTFFZCLXQQI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
4.57
ALogP
7
HBA
2
HBD
118.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 580.0 | nM | 6.24 | Inhibition of specific binding of [125 I ] Angiotensin-II (0.2 nM) to bovine adr... | 8340921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8340921 | 10.1021/jm00067a016 | Angiotensin II receptor | 2 |
| 8340921 | 10.1021/jm00067a016 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine