Compound Detail
CHEMBL88350
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Basic Information
| ChEMBL ID | CHEMBL88350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAINEOUGVXNDCF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
4.62
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Kd 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 8.39 | 8.39 | 4.1 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 4.074 | nM | 8.39 | pA2 value was determined by the compound's ability to antagonize the AII-induced... | 1635064 |
| Type-1 angiotensin II receptor B | IC50 | = | 400.0 | nM | 6.4 | Concentration required to inhibit binding of radioligand [125I]AII to angiotensi... | 1635064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635064 | 10.1021/jm00092a017 | No relevant target | 1 |
| 1635064 | 10.1021/jm00092a017 | Type-1 angiotensin II receptor B | 1 |
| 1635064 | 10.1021/jm00092a017 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine