Compound Detail
CHEMBL1644984
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COc1ccc(C(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccc(OC)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1644984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMSKRZFAFYJXTC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.0
MW (Da)
7.27
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 1200.0 | nM | 5.92 | 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