Compound Detail
CHEMBL433813
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Basic Information
| ChEMBL ID | CHEMBL433813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJJJYCDTFZMZDH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
1.28
ALogP
5
HBA
0
HBD
72.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.41 | 4.41 | 38700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 38700.0 | nM | 4.41 | Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH... | 25549551 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17234303 | 10.1016/j.ejmech.2006.12.003 | Vero | 1 |
| 25549551 | 10.1016/j.ejmech.2014.12.039 | Prostaglandin G/H synthase 1 | 1 |
| 25549551 | 10.1016/j.ejmech.2014.12.039 | Prostaglandin G/H synthase 2 | 1 |
| 25549551 | 10.1016/j.ejmech.2014.12.039 | Unchecked | 1 |
| 25549551 | 10.1016/j.ejmech.2014.12.039 | Rattus norvegicus | 1 |
| 25549551 | 10.1016/j.ejmech.2014.12.039 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine