Compound Detail
CHEMBL281975
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Basic Information
| ChEMBL ID | CHEMBL281975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPHUNBLFEKLVLF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.43
ALogP
4
HBA
1
HBD
78.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.89 | 7.89 | 12.9 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 12.88 | nM | 7.89 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
| Prostaglandin G/H synthase 2 | IC50 | = | 13.0 | nM | 7.89 | In vitro inhibitory concentration required to block human recombinant prostaglan... | 9135032 |
| Prostaglandin G/H synthase 1 | IC50 | = | 12500.0 | nM | 4.9 | In vitro inhibitory concentration required to block recombinant human prostaglan... | 9135032 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9135032 | 10.1021/jm960803q | Rattus norvegicus | 5 |
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 1 | 1 |
| 9135032 | 10.1021/jm960803q | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine