Compound Detail
CHEMBL130095
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CCCCc1nc2ccc(N3CCCCS3(=O)=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL130095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQVLPIKGPBGVCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.7
MW (Da)
5.20
ALogP
7
HBA
1
HBD
109.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 3.0 | nM | 8.52 | Inhibition of specific binding of [125I]angiotensin-II to angiotensin 1 receptor... | 8258826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258826 | 10.1021/jm00077a007 | Type-1 angiotensin II receptor B | 1 |
| 8258826 | 10.1021/jm00077a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine