Compound Detail
CHEMBL33403
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CCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(-c2ccc(C)cc2)c(CC)n1
Basic Information
| ChEMBL ID | CHEMBL33403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPSKTTRAIJOSCQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
6.64
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 7.6 | 7.6 | 24.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 24.9 | nM | 7.6 | Inhibition of [125I]AII binding to guinea pig adrenal membrane | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81136-7 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81136-7 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine