Compound Detail
CHEMBL49410
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Basic Information
| ChEMBL ID | CHEMBL49410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLYHVKQIKYGJHI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
120.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 9.93 | 9.93 | 0.1 | 2 |
| Angiotensin II receptor CHEMBL2094256 | Kd | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 0.1175 | nM | 9.93 | pA2 value determined in vitro against angiotensin II receptor, type 1 using rabb... | - |
| Type-1 angiotensin II receptor | Kd | = | 0.1175 | nM | 9.93 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Angiotensin II receptor | Kd | = | 0.2089 | nM | 9.68 | Potency to antagonize the ability of angiotensin II to contract rabbit aorta | 8410980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81142-2 | Type-1 angiotensin II receptor | 1 |
| 8410980 | 10.1021/jm00070a012 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine