Compound Detail
CHEMBL99991
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 | CHEMBL99991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZQIEKNCIJICCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.59
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 2.0 | nM | 8.7 | Binding affinity towards Angiotensin receptor from rabbit aorta | 1895308 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1895308 | 10.1021/jm00113a035 | Angiotensin II receptor | 1 |
| 1895308 | 10.1021/jm00113a035 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine