Compound Detail
CHEMBL4161466
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NC(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCC2(CCNCC2)C1
Basic Information
| ChEMBL ID | CHEMBL4161466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVDZDFIOJPXTKO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
3.93
ALogP
6
HBA
2
HBD
107.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Blood CHEMBL613416 | EC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Blood | EC50 | = | 3700.0 | nM | 5.43 | Antifibrinolytic activity in human whole blood assessed as concentration of comp... | 29795754 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795754 | 10.1021/acsmedchemlett.7b00549 | Blood | 1 |
| 29795754 | 10.1021/acsmedchemlett.7b00549 | Stromelysin-2 | 1 |
| 29795754 | 10.1021/acsmedchemlett.7b00549 | Stromelysin-1 | 1 |
Data from ChEMBL 36 via Core Engine