Compound Detail
CHEMBL21451
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Basic Information
| ChEMBL ID | CHEMBL21451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMSIJCSLNBPQFR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.78
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.74 | 5.74 | 1819.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 1819.7 | nM | 5.74 | Ability to reverse action of CpG-ODN on WEHI 231 murine B-cell lymphoma cells | 12646034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12646034 | 10.1021/jm020374y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine