Compound Detail
CHEMBL83194
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CC(C)CCc1nn(CCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL83194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCBBLFOWZAOLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.6
MW (Da)
4.77
ALogP
7
HBA
1
HBD
94.3
PSA (Ų)
0.30
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.1 | nM | 8.51 | In vitro antagonistic activity for angiotensin II receptor, type 1 by displacing... | 8355255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8355255 | 10.1021/jm00069a015 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine