Compound Detail
CHEMBL62269
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
CCCc1cc(=O)n(CC(=O)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL62269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBTOFFZALGYFNR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
1.95
ALogP
8
HBA
1
HBD
118.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.19 | 9.19 | 0.7 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 8.03 | 8.03 | 9.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 0.65 | nM | 9.19 | Tested for binding affinity against angiotensin II receptor in rat adrenal corte... | - |
| Unchecked | IC50 | = | 0.65 | nM | 9.19 | Antagonist activity at angiotensin AT1 receptor in rat adrenal cortical membrane... | 21071232 |
| Type-1 angiotensin II receptor | IC50 | = | 9.3 | nM | 8.03 | Tested for binding affinity against angiotensin II receptor in bovine adrenal co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00370-9 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(95)00370-9 | Type-1 angiotensin II receptor B | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine