Compound Detail
CHEMBL3359349
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Basic Information
| ChEMBL ID | CHEMBL3359349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLULZWTXXNQPOT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.0
MW (Da)
5.87
ALogP
7
HBA
1
HBD
77.0
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.26 | 5.26 | 5520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 5520.0 | nM | 5.26 | Inhibition of PGE2 production in LPS-induced mouse RAW264.7 cells | 25453800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25453800 | 10.1016/j.bmcl.2014.10.031 | RAW264.7 | 3 |
| 25453800 | 10.1016/j.bmcl.2014.10.031 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine