Compound Detail
CHEMBL40089
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Basic Information
| ChEMBL ID | CHEMBL40089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJZRXHQEYPAKJT-LDADJPATSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
5.06
ALogP
5
HBA
2
HBD
75.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 21.0 | nM | 7.68 | In vitro inhibition of [125I]AII specific binding towards Angiotensin II recepto... | 2016730 |
| Angiotensin II receptor | IC50 | = | 21.0 | nM | 7.68 | Inhibition of [125I]AII binding to Angiotensin II receptor, type 1 of rat mesent... | 8515425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8515425 | 10.1021/jm00065a011 | Angiotensin II receptor | 2 |
| 2016730 | 10.1021/jm00108a043 | Type-2 angiotensin II receptor | 1 |
| 2016730 | 10.1021/jm00108a043 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine