Compound Detail
CHEMBL131767
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CCCc1nc2c(C)cc(-c3ccccn3)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL131767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAWAYKLMVNQNNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
6.25
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.29
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 5.0 | nM | 8.3 | 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 |
Data from ChEMBL 36 via Core Engine