Compound Detail
CHEMBL462523
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL462523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQMPYBCEABTPIK-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
470.0
MW (Da)
6.92
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.19 | 5.7667 | 650.0 | 3 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.0 | 5.85 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 650.0 | nM | 6.19 | Inhibition of human recombinant mPGES-1 in assessed as conversion of PGH2 into P... | 22209272 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of 5-LO in PMNL cells | 19053751 |
| Prostaglandin E synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of PGES1 in human A549 cell microsome assessed as PGE2 formation by c... | 19053751 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant 5-LO expressed in Escherichia coli by cell-free ... | 19053751 |
| Prostaglandin E synthase | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of mPGES1 in human A549 cells assessed as inhibition of IL-1-beta-ind... | 19053751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| 19053751 | 10.1021/jm801085s | Prostaglandin E synthase | 4 |
| 19053751 | 10.1021/jm801085s | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 3 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 1 | 2 |
| 19053751 | 10.1021/jm801085s | Prostaglandin G/H synthase 2 | 2 |
| 22209272 | 10.1016/j.ejmech.2011.12.009 | Prostaglandin E synthase | 2 |
| - | 10.6019/CHEMBL5308504 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5308504 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5308504 | Peregrin | 1 |
| - | 10.6019/CHEMBL5308504 | Fibroblast growth factor receptor 3 | 1 |
| - | 10.6019/CHEMBL5308504 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5308504 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5308504 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5308504 | Glycogen synthase kinase-3 beta | 1 |
| - | 10.6019/CHEMBL5308504 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5308504 | Casein kinase I isoform delta | 1 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine