Compound Detail
CHEMBL12663
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Basic Information
| ChEMBL ID | CHEMBL12663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAIJEOSMHPBZEU-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.6
MW (Da)
4.86
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Kd 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 5.3 | 5.15 | 5011.9 | 2 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.17 | 5.045 | 6700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 5011.87 | nM | 5.3 | Antagonism of AII-contracted rabbit aortic rings | - |
| Angiotensin II receptor | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II recepto... | - |
| Oryctolagus cuniculus | Kd | = | 10000.0 | nM | 5.0 | Antagonism of AII-contracted rabbit aortic rings | - |
| Angiotensin II receptor | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81130-6 | Angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(01)81130-6 | Oryctolagus cuniculus | 2 |
Data from ChEMBL 36 via Core Engine