Compound Detail
CHEMBL3746729
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Basic Information
| ChEMBL ID | CHEMBL3746729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAWFRGFGIAQWKS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.40
ALogP
6
HBA
1
HBD
84.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 8.35 | 8.255 | 4.5 | 2 |
| Prostaglandin E synthase CHEMBL5658 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 4.5 | nM | 8.35 | Suppression of PGE2 production in LPS-induced mouse RAW264.7 cells after 24 hrs ... | 26602278 |
| RAW264.7 | IC50 | = | 6.9 | nM | 8.16 | Suppression of NO production in LPS-induced mouse RAW264.7 cells by Griess assay | 26602278 |
| Prostaglandin E synthase | IC50 | = | 70.0 | nM | 7.16 | 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 | 4 |
| 26602278 | 10.1016/j.bmcl.2015.11.024 | Prostaglandin E synthase | 3 |
Data from ChEMBL 36 via Core Engine