Compound Detail
CHEMBL165592
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CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)N(C(=O)NCc2ccccc2)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL165592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIOFPEQCJMBGBV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.80
ALogP
6
HBA
2
HBD
130.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 3.0 | nM | 8.52 | Antihypertensive activity when administered orally to spontaneously hypertensive... | 1995904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995904 | 10.1021/jm00106a048 | Rattus norvegicus | 3 |
Data from ChEMBL 36 via Core Engine