Compound Detail
CHEMBL4465282
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Basic Information
| ChEMBL ID | CHEMBL4465282 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKFFXHUGUKTEDT-GIJQJNRQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.2
MW (Da)
4.79
ALogP
4
HBA
0
HBD
51.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| UO-31 CHEMBL614388 | IC50 | 7.53 | 7.53 | 29.6 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.27 | 5.27 | 5390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| UO-31 | IC50 | = | 29.63 | nM | 7.53 | Antiproliferative against human UO31 cells incubated for 24 hrs by MTT assay | 31539778 |
| Prostaglandin G/H synthase 2 | IC50 | = | 59.0 | nM | 7.23 | Inhibition of human recombinant COX-2 by EIA method | 31539778 |
| Prostaglandin G/H synthase 1 | IC50 | = | 5390.0 | nM | 5.27 | Inhibition of ovine COX-1 by EIA method | 31539778 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31539778 | 10.1016/j.ejmech.2019.111693 | Prostaglandin G/H synthase 1 | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | Prostaglandin G/H synthase 2 | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | Unchecked | 1 |
| 31539778 | 10.1016/j.ejmech.2019.111693 | UO-31 | 1 |
Data from ChEMBL 36 via Core Engine