Compound Detail
CHEMBL74767
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CC(O)CCC(=O)N(c1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL74767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIQNTCSSBLTCDW-FXMQYSIJSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.14
ALogP
6
HBA
3
HBD
132.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.33
Ki 1 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 9.33 | 9.33 | 0.5 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 6.43 | 6.43 | 370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.47 | nM | 9.33 | Compound was tested for inhibition against Angiotensin II receptor, type 1 | 12773029 |
| Type-1 angiotensin II receptor | Ki | = | 370.0 | nM | 6.43 | Inhibition constant against Angiotensin II receptor, type 1 was determined | 12773029 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12773029 | 10.1021/jm0204237 | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine