Compound Detail
CHEMBL274082
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
CCCCc1cn(-c2c(C(C)C)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
Basic Information
| ChEMBL ID | CHEMBL274082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POCKOCYKZCNKQZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.7
MW (Da)
6.52
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Angiotensin II receptor CHEMBL2094256 | Kd | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 34.0 | nM | 7.47 | Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membr... | - |
| Angiotensin II receptor | Kd | = | 79.43 | nM | 7.1 | Compound was tested for antagonism of Angiotensin II-contracted rabbit aortic ri... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80286-3 | Angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine