Compound Detail
CHEMBL427808
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CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
Basic Information
| ChEMBL ID | CHEMBL427808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLBSKJWOURGATN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
5.57
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Kd 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 1.0 | nM | 9.0 | Compound was tested for antagonism of Angiotensin II-contracted rabbit aortic ri... | - |
| Angiotensin II receptor | IC50 | = | 19.0 | nM | 7.72 | Inhibition of [125I]-AII binding to Angiotensin II receptor of rat uterine membr... | - |
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