Compound Detail
CHEMBL107600
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 | CHEMBL107600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCPPTAVUOWTXDZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.36
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.82 | 5.82 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 240.0 | nM | 6.62 | Ability to inhibit lipopolysaccharide (LPS) induced PGE-2 production was determi... | 10956225 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1513.56 | nM | 5.82 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory activity against human Prostaglandin G/H synthase 2 | 10956225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956225 | 10.1021/jm0000719 | Homo sapiens | 2 |
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 10956225 | 10.1021/jm0000719 | Prostaglandin G/H synthase 2 | 1 |
| 10956225 | 10.1021/jm0000719 | Prostaglandin G/H synthase 1 | 1 |
| 10956225 | 10.1021/jm0000719 | Rattus norvegicus | 1 |
| 12383010 | 10.1021/jm020198t | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine