Compound Detail
CHEMBL2425239
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CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)n2cnnn2)cc1
Basic Information
| ChEMBL ID | CHEMBL2425239 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKMFBBITYXHUCR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.6
MW (Da)
4.04
ALogP
11
HBA
1
HBD
146.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.11 | 9.11 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.78 | nM | 9.11 | Antagonist activity at AT1 receptor in rabbit aorta membranes | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-013-0831-x | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine