Compound Detail
CHEMBL113714
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Basic Information
| ChEMBL ID | CHEMBL113714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKBCFEJJFRYVQQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
4.00
ALogP
5
HBA
3
HBD
112.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 28.0 | nM | 7.55 | In vitro for inhibition of [125I]-angiotensin II (0.1 nM) binding to angiotensin... | 8568823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568823 | 10.1021/jm950450f | Type-1 angiotensin II receptor | 1 |
| 8568823 | 10.1021/jm950450f | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine