Compound Detail
CHEMBL47985
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 | CHEMBL47985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANLGKBUSHJIPDY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
5.41
ALogP
5
HBA
1
HBD
87.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.12 | 8.12 | 7.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 3.1 | nM | 8.51 | Antagonism of the AII induced contraction of rabbit aortic tissue in a functiona... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 7.6 | nM | 8.12 | In vitro binding affinity at Angiotensin II receptor, type 1 from rat liver memb... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81140-9 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81140-9 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine