Compound Detail
CHEMBL70100
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CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL70100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKRRGXRLWZULSD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
769.9
MW (Da)
8.36
ALogP
9
HBA
1
HBD
133.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 9.13 | 9.13 | 0.7 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.74 | nM | 9.13 | Binding affinity for Angiotensin II receptor, type 1 | - |
| Type-2 angiotensin II receptor | IC50 | = | 2.1 | nM | 8.68 | Binding affinity for angiotensin II AT-2 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80077-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80077-3 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine