Compound Detail
CHEMBL114656
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 | CHEMBL114656 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVFLOPLAYWVMDD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
5.93
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.59
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 39.0 | nM | 7.41 | Antagonistic activity through inhibition of A II induced contractions on rabbit ... | 8230127 |
| Type-1 angiotensin II receptor B | IC50 | = | 66.0 | nM | 7.18 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
| 8230127 | 10.1021/jm00074a018 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine