Compound Detail
CHEMBL21568
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Basic Information
| ChEMBL ID | CHEMBL21568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDMQMFWHZFKYIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
4.18
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.74 | 7.74 | 18.2 | 1 |
| WEHI CHEMBL612804 | EC50 | 7.14 | 7.14 | 72.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 18.2 | nM | 7.74 | Ability to reverse action of CpG-ODN on WEHI 231 murine B-cell lymphoma cells | 12646034 |
| WEHI | EC50 | = | 72.44 | nM | 7.14 | 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