Compound Detail
CHEMBL170196
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CCOC(=O)/C=C1\CC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL170196 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZNQMKRGLQLJKF-HMMYKYKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.27
ALogP
6
HBA
1
HBD
101.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Kd | = | 3.162 | nM | 8.5 | In vitro binding affinity against Angiotensin II receptor in rabbit aorta rings | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81127-6 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(01)81127-6 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine