Compound Detail
CHEMBL1202852
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1202852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUOUFAMWXFJLMC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL91953 |
| Active Moiety | CHEMBL91953 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
3.20
ALogP
7
HBA
3
HBD
129.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Ki 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Type-1 angiotensin II receptor A CHEMBL329 | Ki | 7.17 | 7.17 | 68.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 5.012 | nM | 8.3 | Potency to antagonize the ability of angiotensin II to contract rabbit aorta | 8410980 |
| Type-1 angiotensin II receptor A | Ki | = | 68.1 | nM | 7.17 | Binding affinity against angiotensin II receptor from rat liver | 8410980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410980 | 10.1021/jm00070a012 | Rattus norvegicus | 2 |
| 8410980 | 10.1021/jm00070a012 | Angiotensin II receptor | 1 |
| 8410980 | 10.1021/jm00070a012 | Type-1 angiotensin II receptor A | 1 |
Data from ChEMBL 36 via Core Engine