Compound Detail
CHEMBL287116
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CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)c2ccccc2Cl)s1
Basic Information
| ChEMBL ID | CHEMBL287116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUKXIXVNPIDHHS-RFBIWTDZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
502.0
MW (Da)
4.80
ALogP
7
HBA
1
HBD
101.7
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 3.388 | nM | 8.47 | Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 re... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 3.6 | nM | 8.44 | In vitro ability to displace the specific binding of [125I]-A II from receptors ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00250-8 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(96)00250-8 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(97)00026-7 | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine