Compound Detail
CHEMBL289262
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Basic Information
| ChEMBL ID | CHEMBL289262 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXXOQPYKXLLPNU-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.79
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.0 | 6.6067 | 100.0 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of prostaglandin G/H synthase 2 expressed in human osteosarc... | 8523403 |
| Prostaglandin G/H synthase 2 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human Prostaglandin G/H synthase 2 expressed in CHO (chinese hamst... | 10021918 |
| Prostaglandin G/H synthase 2 | IC50 | = | 480.0 | nM | 6.32 | Inhibition of purified recombinant human Prostaglandin G/H synthase 2 | 10021918 |
| Prostaglandin G/H synthase 1 | IC50 | = | 13000.0 | nM | 4.89 | 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 |
| 8523403 | 10.1021/jm00025a007 | Prostaglandin G/H synthase 2 | 1 |
| 8523403 | 10.1021/jm00025a007 | Prostaglandin G/H synthase 1 | 1 |
| 8523403 | 10.1021/jm00025a007 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine