Compound Detail
CHEMBL128590
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Basic Information
| ChEMBL ID | CHEMBL128590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKYAJVYIVWTUHC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.98
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Kd 1 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 7.24 | 7.24 | 57.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 57.54 | nM | 7.24 | In vitro inhibition of contraction of rabbit aorta strips measured as pA2 calcul... | - |
| Type-1 angiotensin II receptor | IC50 | = | 3300.0 | nM | 5.48 | Concentration required to inhibit [125I]AII binding to Angiotensin II receptor f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81118-5 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81118-5 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine