Compound Detail
CHEMBL121635
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Basic Information
| ChEMBL ID | CHEMBL121635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJSMWZXSSHENTD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.74
ALogP
6
HBA
2
HBD
107.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.15
Ki 1 meas. best 6.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.15 | 8.15 | 7.1 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.08 | 8.08 | 8.3 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 6.91 | 6.91 | 122.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 7.079 | nM | 8.15 | Potency to antagonize the ability of angiotensin II to contract rabbit aorta | 8410980 |
| Type-1 angiotensin II receptor | Kd | = | 8.318 | nM | 8.08 | Compound was evaluated for in vitro potency against angiotensin II receptor, typ... | 1433184 |
| Type-1 angiotensin II receptor B | Ki | = | 122.0 | nM | 6.91 | Compound was evaluated for binding affinity against angiotensin II receptor, typ... | 1433184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433184 | 10.1021/jm00098a018 | Type-1 angiotensin II receptor | 1 |
| 1433184 | 10.1021/jm00098a018 | Type-1 angiotensin II receptor B | 1 |
| 8410980 | 10.1021/jm00070a012 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine