Compound Detail
CHEMBL114720
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CCCCC1=NC2(CCN(C(=O)c3ccccc3)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL114720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUECKDQXOVYNLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
5.66
ALogP
4
HBA
1
HBD
90.3
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 49.0 | nM | 7.31 | Binding affinity for Angiotensin II receptor, type 1 measured by ability to disp... | 8230127 |
| Oryctolagus cuniculus | IC50 | = | 70.0 | nM | 7.16 | Antagonistic activity through inhibition of A II induced contractions on rabbit ... | 8230127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230127 | 10.1021/jm00074a018 | Type-1 angiotensin II receptor B | 1 |
| 8230127 | 10.1021/jm00074a018 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine