Compound Detail
CHEMBL4247064
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Basic Information
| ChEMBL ID | CHEMBL4247064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDDZDNUQSOAFAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
377.9
MW (Da)
3.70
ALogP
5
HBA
0
HBD
65.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of ovine COX1 assessed as reduction in PGH2 production by enzyme immu... | 29980364 |
| Prostaglandin G/H synthase 2 | IC50 | = | 760.0 | nM | 6.12 | Inhibition of ovine COX2 assessed as reduction in PGH2 production by enzyme immu... | 29980364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29980364 | 10.1016/j.bmc.2018.06.038 | Rattus norvegicus | 3 |
| 29980364 | 10.1016/j.bmc.2018.06.038 | Unchecked | 1 |
| 29980364 | 10.1016/j.bmc.2018.06.038 | Prostaglandin G/H synthase 2 | 1 |
| 29980364 | 10.1016/j.bmc.2018.06.038 | Prostaglandin G/H synthase 1 | 1 |
| 29980364 | 10.1016/j.bmc.2018.06.038 | HT-29 | 1 |
| 29980364 | 10.1016/j.bmc.2018.06.038 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine