Compound Detail
CHEMBL286537
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CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)c2ccccc2)s1
Basic Information
| ChEMBL ID | CHEMBL286537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVKNZYAQWZIGTD-QPLCGJKRSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.14
ALogP
7
HBA
1
HBD
101.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.43
Ki 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 35.97 | nM | 7.44 | Inhibition of binding of [125I]All at the angiotensin II type 1 receptor (AT1 re... | - |
| Type-1 angiotensin II receptor B | IC50 | = | 37.0 | nM | 7.43 | 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 | 2 |
| - | 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