Compound Detail
CHEMBL3746644
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Basic Information
| ChEMBL ID | CHEMBL3746644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRFBBOCVKCCSCK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.52
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 1010.0 | nM | 6.0 | Suppression of PGE2 production in LPS-induced mouse RAW264.7 cells after 24 hrs ... | 26602278 |
| Prostaglandin E synthase | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of PGES-1 in human A549 cell microsomes using PGH2 as substrate asses... | 26602278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26602278 | 10.1016/j.bmcl.2015.11.024 | RAW264.7 | 2 |
| 26602278 | 10.1016/j.bmcl.2015.11.024 | Prostaglandin E synthase | 2 |
Data from ChEMBL 36 via Core Engine