Compound Detail
CHEMBL337787
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CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2C2=NS(=O)(=O)c3ccccc3N2)cc1
Basic Information
| ChEMBL ID | CHEMBL337787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJEHDQCSJNTISD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.6
MW (Da)
5.89
ALogP
6
HBA
1
HBD
89.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 120.0 | nM | 6.92 | Displacement of the specific binding ligand [125I]Sar1,Ile8-AII from Angiotensin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81119-7 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81119-7 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine