Compound Detail
CHEMBL96950
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Basic Information
| ChEMBL ID | CHEMBL96950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUQCYZLKBCHDRR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.9
MW (Da)
4.18
ALogP
4
HBA
0
HBD
59.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.88 | 5.73 | 1330.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1330.0 | nM | 5.88 | In vitro inhibition of PGE-2 produced by arachidonic acid-stimulated CHO cells s... | 9873621 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of Prostaglandin G/H synthase 2 was measured by the inhibition of PGE... | 9873621 |
| Prostaglandin G/H synthase 1 | IC50 | = | 45000.0 | nM | 4.35 | Inhibition of Prostaglandin G/H synthase 1 was measured by the inhibition of PGE... | 9873621 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873621 | 10.1016/s0960-894x(98)00499-5 | Prostaglandin G/H synthase 2 | 2 |
| 9873621 | 10.1016/s0960-894x(98)00499-5 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine