Compound Detail
CHEMBL115979
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Basic Information
| ChEMBL ID | CHEMBL115979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJVDVVFPGPAHQX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
3.50
ALogP
5
HBA
1
HBD
87.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (COX-2) ... | 12877584 |
| Prostaglandin G/H synthase 1 | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibitory activity against human Prostaglandin G/H synthase 1 (COX-1) ... | 12877584 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12877584 | 10.1021/jm030765s | Prostaglandin G/H synthase 2 | 2 |
| 12877584 | 10.1021/jm030765s | Prostaglandin G/H synthase 1 | 1 |
| 12877584 | 10.1021/jm030765s | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine