Compound Detail
CHEMBL51340
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CCCCc1nc2cccc(C(=O)NC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL51340 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQKBOXFMQQFNBS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
5.41
ALogP
6
HBA
2
HBD
101.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 6.27 | 6.265 | 540.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 540.0 | nM | 6.27 | In vitro for inhibition of specific binding of [125I]-angiotensin II (0.02 nM) t... | 8510105 |
| Type-1 angiotensin II receptor | IC50 | = | 540.0 | nM | 6.27 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
| Type-1 angiotensin II receptor | IC50 | = | 544.5 | nM | 6.26 | Displacement of [125I]angiotensin 2 from type-1 angiotensin 2 receptor in Bos ta... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9182-z | Type-1 angiotensin II receptor | 2 |
| 8510105 | 10.1021/jm00064a011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine