Compound Detail
CHEMBL173643
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CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL173643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQNRQPVANIYXJD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
541.6
MW (Da)
5.50
ALogP
7
HBA
2
HBD
118.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.4 | nM | 9.4 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to Angiotensin II receptor type 1 ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of [125I]-Sar1-Ile8-Ang II binding to rat midbrain Angiotensin II rec... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00116-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(96)00116-3 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine