Compound Detail
CHEMBL1681800
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Basic Information
| ChEMBL ID | CHEMBL1681800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNWOAHMLAZAOGH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
3.80
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
IC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.1 | 5.1 | 7880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 310.0 | nM | 6.51 | Antiinflammatory activity against mouse RAW246.7 cells assessed as inhibition of... | 21316977 |
| NON-PROTEIN TARGET | IC50 | = | 7880.0 | nM | 5.1 | Antiinflammatory activity against human neutrophil assessed as inhibition of N-f... | 21316977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316977 | 10.1016/j.bmc.2011.01.034 | NON-PROTEIN TARGET | 5 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | RAW264.7 | 3 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | ADMET | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | KB | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | A549 | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine