Compound Detail
CHEMBL39352
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CCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL39352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFZUQYMHANLXTF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
4.79
ALogP
5
HBA
1
HBD
95.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A CHEMBL329 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor A | IC50 | = | 3.0 | nM | 8.52 | Displacement of [125I]- Ang II from type 1 Angiotensin II receptor | - |
| Type-2 angiotensin II receptor | IC50 | = | 200.0 | nM | 6.7 | The compound was tested for the ability to displace 50% of totally specifically ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80526-6 | Type-1 angiotensin II receptor A | 1 |
| - | 10.1016/S0960-894X(01)80526-6 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80526-6 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine