Compound Detail
CHEMBL115622
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CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@@H](C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL115622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACWBQPMHZXGDFX-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
4.16
ALogP
5
HBA
2
HBD
112.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 100.0 | nM | 7.0 | Tested for inhibition of Angiotensin II-induced pressor response in rabbit aorta | - |
| Type-1 angiotensin II receptor | IC50 | = | 300.0 | nM | 6.52 | Tested for inhibition of Angiotensin II receptor, type 1 in the absence of bovin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28666735 | 10.1016/j.bmcl.2017.06.051 | Type-1 angiotensin II receptor | 8 |
| - | 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