Compound Detail
CHEMBL291582
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 | CHEMBL291582 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODISHMFPJYIVHR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
2
PK Parameters
11
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
4.11
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.7 | 8.69 | 2.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 70.0 | % | Canis lupus familiaris |
| F | 100.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 2.0 | nM | 8.7 | Displacement of [125I]- Ang II from angiotensin II AT1 receptor in rat adrenal c... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 2.1 | nM | 8.68 | Inhibitory activity against Angiotensin II receptor type 1 in rat adrenal membra... | 8576904 |
| Unchecked | IC50 | = | 2.1 | nM | 8.68 | Displacement of radiolabeled angiotensin2 from angiotensin AT1 receptor in rat a... | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 8.0 | nM | 8.1 | In vitro inhibitory activity against Angiotensin II receptor, type 1 to displace... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81123-9 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(01)81123-9 | Canis familiaris | 2 |
| - | 10.1016/S0960-894X(01)80554-0 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)80554-0 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80554-0 | Rattus norvegicus | 1 |
| - | 10.1016/S0960-894X(01)81124-0 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81124-0 | Type-2 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8576904 | 10.1021/jm9504722 | Rattus norvegicus | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine