Compound Detail
CHEMBL408033
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CCCCc1nc2ccc(C(C)(O)C[C@H]3CCCN3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL408033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQPDDMBHASYCNG-NHYGQJMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
4.98
ALogP
8
HBA
3
HBD
121.6
PSA (Ų)
0.22
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.5 | nM | 8.46 | Compound was tested for in vitro for AII receptor antagonistic activity in bovin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80366-2 | Rattus norvegicus | 2 |
| - | 10.1016/S0960-894X(00)80366-2 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine