Compound Detail
CHEMBL551148
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Basic Information
| ChEMBL ID | CHEMBL551148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHGJVDSEBQVHRX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.32
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 9.55 | 8.85 | 0.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 0.28 | nM | 9.55 | Inhibition of human COX2 expressed in african green monkey COS cells assessed as... | 19520573 |
| Prostaglandin G/H synthase 2 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of recombinant human COX-2 preincubated for 5 mins followed by additi... | 26898334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Unchecked | 1 |
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Prostaglandin G/H synthase 1 | 1 |
| 19520573 | 10.1016/j.bmcl.2009.02.085 | Prostaglandin G/H synthase 2 | 1 |
| 26898334 | 10.1016/j.bmcl.2016.02.029 | Prostaglandin G/H synthase 1 | 1 |
| 26898334 | 10.1016/j.bmcl.2016.02.029 | Prostaglandin G/H synthase 2 | 1 |
| 26898334 | 10.1016/j.bmcl.2016.02.029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine