Compound Detail
CHEMBL330866
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Basic Information
| ChEMBL ID | CHEMBL330866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMOPIBNBQVNSQV-MOSHPQCFSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.35
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Kd 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 6.5 | 6.5 | 316.2 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 316.23 | nM | 6.5 | Tested for inhibitory activity against angiotensin II induced contraction in rab... | - |
| Type-1 angiotensin II receptor | IC50 | = | 3100.0 | nM | 5.51 | Concentration that gives 50% inhibition for binding of 125-I-[Sar1, IIe8] angiot... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80914-8 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(01)80914-8 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine