Compound Detail
CHEMBL42077
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Basic Information
| ChEMBL ID | CHEMBL42077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIZFYTAPXBZGBM-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205018 |
| Active Moiety | CHEMBL1205018 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.14
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 20000.0 | nM | 4.7 | Compound was tested for its inhibitory activity against recombinant human Prosta... | 10794682 |
| Prostaglandin G/H synthase 1 | IC50 | = | 100000.0 | nM | 4.0 | Compound was tested for its inhibitory activity against recombinant human Prosta... | 10794682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10794682 | 10.1021/jm000069h | Prostaglandin G/H synthase 1 | 1 |
| 10794682 | 10.1021/jm000069h | Prostaglandin G/H synthase 2 | 1 |
| 10794682 | 10.1021/jm000069h | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine