Compound Detail
CHEMBL39345
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL39345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEZRFVYGWZLAFU-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
3.55
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 12000.0 | nM | 4.92 | In vitro inhibition of [125I]AII specific binding towards Angiotensin II recepto... | 2016730 |
| Unchecked | IC50 | = | 12000.0 | nM | 4.92 | The compound was evaluated for the inhibition of [125I]- Angiotensin II (AII) bi... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 12000.0 | nM | 4.92 | Compound was evaluated for the inhibition of Angiotensin II receptor induced vas... | 1433195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2016730 | 10.1021/jm00108a043 | Type-2 angiotensin II receptor | 1 |
| 2016730 | 10.1021/jm00108a043 | Angiotensin II receptor | 1 |
| 2016730 | 10.1021/jm00108a043 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(00)80691-5 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(00)80691-5 | Unchecked | 1 |
| - | 10.1016/S0960-894X(00)80691-5 | Rattus norvegicus | 1 |
| 1433195 | 10.1021/jm00099a013 | Type-1 angiotensin II receptor B | 1 |
| 1433195 | 10.1021/jm00099a013 | Angiotensin II receptor | 1 |
| 1433195 | 10.1021/jm00099a013 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine