Compound Detail
CHEMBL253466
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Basic Information
| ChEMBL ID | CHEMBL253466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRFDJOAWSXSLMG-NHYWBVRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.72
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.1 CHEMBL4296442 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.27 | 4.27 | 54100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.1 | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of LPS-induced NO production in mouse J774.1 cells after 24 hrs by Gr... | 15974608 |
| NON-PROTEIN TARGET | IC50 | = | 54100.0 | nM | 4.27 | Cytotoxicity against mouse colon 26-L5 cells after 72 hrs by MTT assay | 18440233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18440233 | 10.1016/j.bmc.2008.04.016 | NON-PROTEIN TARGET | 3 |
| 17950610 | 10.1016/j.bmc.2007.10.004 | PANC-1 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | A549 | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HeLa | 1 |
| 18440233 | 10.1016/j.bmc.2008.04.016 | HT-1080 | 1 |
| 15974608 | 10.1021/np050009k | J774.1 | 1 |
Data from ChEMBL 36 via Core Engine