Compound Detail
CHEMBL371031
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N#CC(CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL371031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJWMVKZBUSNLLL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
513.0
MW (Da)
6.93
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.5
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H4 CHEMBL1075452 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
| G-protein coupled receptor homolog US28 CHEMBL4259 | IC50 | 4.34 | 4.34 | 45700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H4 | EC50 | = | 3200.0 | nM | 5.5 | Induction of autophagy in human H4 cells expressing LC3 using DAPI staining afte... | 21126871 |
| G-protein coupled receptor homolog US28 | IC50 | = | 45700.0 | nM | 4.34 | Inhibitory concentration against chemokine receptor US28 expressed in COS-7 cell... | 16190772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16190772 | 10.1021/jm050418d | G-protein coupled receptor homolog US28 | 2 |
| 21126871 | 10.1016/j.bmcl.2010.11.029 | H4 | 1 |
Data from ChEMBL 36 via Core Engine