Compound Detail
CHEMBL3604190
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Basic Information
| ChEMBL ID | CHEMBL3604190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHLDHBQXNPNZEI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
6.09
ALogP
2
HBA
1
HBD
34.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 7.22 | 7.22 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
| Prostaglandin E synthase | IC50 | = | 60.0 | nM | 7.22 | Inhibition of recombinant human microsomal PGES1 using PGH2 as substrate preincu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
| - | 10.1039/C5MD00278H | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine