Compound Detail
CHEMBL1958349
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Basic Information
| ChEMBL ID | CHEMBL1958349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNCFJJJQCGMSHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.19 | 5.19 | 6440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 0.2 | nM | 9.7 | Inhibition of human recombinant COX2 | 22148253 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6440.0 | nM | 5.19 | Inhibition of ovine COX1 | 22148253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148253 | 10.1021/jm200973j | Rattus norvegicus | 2 |
| 22148253 | 10.1021/jm200973j | Prostaglandin G/H synthase 1 | 1 |
| 22148253 | 10.1021/jm200973j | Prostaglandin G/H synthase 2 | 1 |
| 22148253 | 10.1021/jm200973j | No relevant target | 1 |
| 22148253 | 10.1021/jm200973j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine