Compound Detail
CHEMBL158794
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Basic Information
| ChEMBL ID | CHEMBL158794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYDGYVZBTWIFRP-GASCZTMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.14
ALogP
5
HBA
1
HBD
66.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 6.9 | 6.9 | 125.9 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Kd | 6.9 | 6.9 | 125.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 125.89 | nM | 6.9 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Type-1 angiotensin II receptor | Kd | = | 125.89 | nM | 6.9 | Antagonist activity at angiotensin AT1 receptor | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8576904 | 10.1021/jm9504722 | 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