Compound Detail
CHEMBL1644976
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OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCC=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1644976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEZQQEOTFXNKOX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
522.0
MW (Da)
7.44
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.34
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 4300.0 | nM | 5.37 | Induction of autophagy in human H4 cells expressing LC3 using DAPI staining afte... | 21126871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21126871 | 10.1016/j.bmcl.2010.11.029 | H4 | 1 |
Data from ChEMBL 36 via Core Engine