Compound Detail
CHEMBL353980
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CCCc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL353980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UESJQTBDFLKYHV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
681.8
MW (Da)
7.17
ALogP
8
HBA
3
HBD
148.5
PSA (Ų)
0.13
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.55 | nM | 9.26 | Tested in vitro for binding affinity against Angiotensin II receptor, type 1 in ... | - |
| Type-2 angiotensin II receptor | IC50 | = | 15.0 | nM | 7.82 | In vitro for binding affinity against angiotensin II receptor type 2 in rat midb... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81126-4 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81126-4 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine