Compound Detail
CHEMBL41739
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Basic Information
| ChEMBL ID | CHEMBL41739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMEYELFGJMQHKW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
368.9
MW (Da)
3.39
ALogP
5
HBA
1
HBD
76.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.66 | 6.47 | 220.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamst... | 10021918 |
| Prostaglandin G/H synthase 2 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of purified recombinant human Prostaglandin G/H synthase 2 | 10021918 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6100.0 | nM | 5.21 | Inhibition of Prostaglandin G/H synthase 1 activity in U937 microsomal assay | 10021918 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021918 | 10.1016/s0960-894x(98)00705-7 | Prostaglandin G/H synthase 2 | 2 |
| 10021918 | 10.1016/s0960-894x(98)00705-7 | Prostaglandin G/H synthase 1 | 2 |
Data from ChEMBL 36 via Core Engine