Compound Detail
CHEMBL137743
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Basic Information
| ChEMBL ID | CHEMBL137743 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFSAJYZMIPNPHE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
195.2
MW (Da)
0.78
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.72 | 4.72 | 18900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 18900.0 | nM | 4.72 | Inhibition of human recombinant COX2 pre-incubated for 15 mins before arachidoni... | 25442305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447731 | 10.1021/jm00101a002 | B16 | 2 |
| 25442305 | 10.1016/j.bmcl.2014.09.083 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine