Compound Detail
CHEMBL282439
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CN1CCN(Cc2cc(Nc3cc(-c4ccc(F)cc4)nc4ccccc34)cc(CN3CCN(C)CC3)c2O)CC1
Basic Information
| ChEMBL ID | CHEMBL282439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGHBWJPDXRYHOT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
4.98
ALogP
7
HBA
2
HBD
58.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.76 | 8.76 | 1.7 | 1 |
| WEHI CHEMBL612804 | EC50 | 8.76 | 8.76 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1.738 | nM | 8.76 | Ability to reverse action of CpG-ODN on WEHI 231 murine B-cell lymphoma cells | 12646034 |
| WEHI | EC50 | = | 1.738 | nM | 8.76 | Inhibition of CpG-oligodeoxynucleotides-induced immunostimulation in mouse WEHI ... | 17049254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646034 | 10.1021/jm020374y | NON-PROTEIN TARGET | 1 |
| 17049254 | 10.1016/j.bmc.2006.09.059 | WEHI | 1 |
Data from ChEMBL 36 via Core Engine