Compound Detail
CHEMBL3770253
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Basic Information
| ChEMBL ID | CHEMBL3770253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZPLPGICHZXOCQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
5.15
ALogP
7
HBA
4
HBD
141.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.4 | 6.17 | 400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substr... | 29329790 |
| Prostaglandin E synthase | IC50 | = | 1150.0 | nM | 5.94 | Inhibition of microsomal PGES1 in ILbeta-stimulated human A549 cells using PGH2 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00278H | Prostaglandin E synthase | 1 |
| - | 10.1039/C5MD00278H | Prostaglandin G/H synthase 1 | 1 |
| 29329790 | 10.1016/j.ejmech.2017.12.059 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine