Compound Detail
CHEMBL3747473
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Basic Information
| ChEMBL ID | CHEMBL3747473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMTQTIXCIMFTIQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.49
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Prostaglandin E synthase CHEMBL2046261 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 50.0 | nM | 7.3 | Suppression of PGE2 production in LPS-induced mouse RAW264.7 cells after 24 hrs ... | 26602278 |
| Prostaglandin E synthase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induc... | 27720548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27720548 | 10.1016/j.bmcl.2016.09.070 | ADMET | 4 |
| 26602278 | 10.1016/j.bmcl.2015.11.024 | RAW264.7 | 2 |
| 26602278 | 10.1016/j.bmcl.2015.11.024 | Prostaglandin E synthase | 2 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin E synthase | 2 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Mus musculus | 1 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin G/H synthase 1 | 1 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine