Compound Detail
CHEMBL83414
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CCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cnc3ccccc23)cc1
Basic Information
| ChEMBL ID | CHEMBL83414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKTIZKJPEDDNSJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.7
MW (Da)
6.29
ALogP
9
HBA
1
HBD
150.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | IC50 | = | 106.0 | nM | 6.97 | Binding affinity for rat angiotensin II receptor, type 1 | 15115399 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115399 | 10.1021/jm031100t | Type-1 angiotensin II receptor B | 1 |
Data from ChEMBL 36 via Core Engine