Compound Detail
CHEMBL147598
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Basic Information
| ChEMBL ID | CHEMBL147598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNFQTBAUFCENTR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
5.35
ALogP
6
HBA
1
HBD
91.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 60.0 | nM | 7.22 | Binding affinity towards Angiotensin II receptor, type 1 in rat liver membrane u... | - |
| Oryctolagus cuniculus | IC50 | = | 67.0 | nM | 7.17 | Inhibitory activity against contractile response to angiotensin II (10 nM) of ra... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81120-3 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)81120-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine