Compound Detail
CHEMBL1947128
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
CCCc1nc2c(C)cc(C(=O)NCc3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1947128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQKSTZXYHFYAKY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
6.64
ALogP
4
HBA
2
HBD
84.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.28 | 7.28 | 52.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 52.5 | nM | 7.28 | Displacement of [125I]Sar1 Ile8-Ang 2 from angiotensin 2 AT1 receptor after 180 ... | 22309912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22309912 | 10.1016/j.ejmech.2012.01.009 | Type-1 angiotensin II receptor | 1 |
| 22309912 | 10.1016/j.ejmech.2012.01.009 | Photobacterium phosphoreum | 1 |
Data from ChEMBL 36 via Core Engine