Compound Detail
CHEMBL117941
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CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](CC1CCCCC1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL117941 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOQUAMAKIYUHPT-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
5.48
ALogP
5
HBA
2
HBD
112.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 60.0 | nM | 7.22 | Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovin... | - |
| Oryctolagus cuniculus | IC50 | = | 500.0 | nM | 6.3 | Tested for inhibition of Angiotensin II-induced pressor response in rabbit aorta | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81117-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81117-3 | Oryctolagus cuniculus | 1 |
| - | 10.1016/S0960-894X(01)81117-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine