Compound Detail
CHEMBL2013138
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Basic Information
| ChEMBL ID | CHEMBL2013138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOKHWXOGLWFVJX-MDZDMXLPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
3.87
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.26 | 5.17 | 5550.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 5550.0 | nM | 5.26 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21988173 |
| RAW264.7 | IC50 | = | 8420.0 | nM | 5.08 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21988173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21988173 | 10.1021/jm200946h | NON-PROTEIN TARGET | 9 |
| 21988173 | 10.1021/jm200946h | Unchecked | 5 |
| 21988173 | 10.1021/jm200946h | RAW264.7 | 4 |
| 21988173 | 10.1021/jm200946h | MAP kinase p38 | 3 |
| 21988173 | 10.1021/jm200946h | Mus musculus | 3 |
Data from ChEMBL 36 via Core Engine