Compound Detail
CHEMBL2259778
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CCCCc1ncc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc(S(=O)(=O)NC(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL2259778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJFUGXXNBVDURE-UYRXBGFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
527.6
MW (Da)
3.76
ALogP
6
HBA
2
HBD
113.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.3 | nM | 8.48 | Antagonist activity at angiotensin 2 type-1 receptor (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9205-9 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine