Compound Detail
CHEMBL334145
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Basic Information
| ChEMBL ID | CHEMBL334145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDIMWMVMRQIJQN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
5.02
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.38 | 9.38 | 0.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.42 | nM | 9.38 | Evaluation of Angiotensin II antagonistic activity by displacement of [125I]-Sar... | 8246227 |
| Type-1 angiotensin II receptor | IC50 | = | 0.42 | nM | 9.38 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8246227 | 10.1021/jm00075a014 | Rattus norvegicus | 6 |
| 8246227 | 10.1021/jm00075a014 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine