Compound Detail
CHEMBL1644958
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OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(OC(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1644958 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBAIHWLBTHCYMF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
656.0
MW (Da)
9.05
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 970.0 | nM | 6.01 | 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