Compound Detail
CHEMBL297653
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CCCCc1nc(Cl)c(CC(=O)O)n1Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL297653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXJKNRYTYKTBIU-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.0
MW (Da)
5.48
ALogP
6
HBA
3
HBD
126.5
PSA (Ų)
0.20
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 27.0 | nM | 7.57 | Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver. | 8510101 |
| Oryctolagus cuniculus | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Angiotensin II induced contraction of isolated rabbit aortic rings | 8510101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8510101 | 10.1021/jm00064a007 | Type-1 angiotensin II receptor B | 1 |
| 8510101 | 10.1021/jm00064a007 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine