Compound Detail
CHEMBL90187
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Basic Information
| ChEMBL ID | CHEMBL90187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POLPOQJLVIDPPB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.08
ALogP
4
HBA
2
HBD
107.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 5.7 | 5.7 | 1995.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 1995.0 | nM | 5.7 | Binding affinity against AT1 in human hepatoma cell line, PLC-PRF-5 | 10893306 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10893306 | 10.1021/jm9904147 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine