Compound Detail
CHEMBL2380867
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Basic Information
| ChEMBL ID | CHEMBL2380867 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXNVEZCCWFOWDA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
4.22
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.5 | 5.6667 | 320.0 | 3 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 4.17 | 4.17 | 68200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of COX-1 in human whole blood assessed as inhibition of serum TXB2 le... | 23651359 |
| Prostaglandin G/H synthase 1 | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of COX-1 (unknown origin) in platelet rich plasma assessed as inhibit... | 23651359 |
| Prostaglandin G/H synthase 1 | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of COX-1 (unknown origin) in platelet rich plasma assessed as inhibit... | 23651359 |
| Prostaglandin G/H synthase 2 | IC50 | = | 68200.0 | nM | 4.17 | Inhibition of COX-2 in human whole blood assessed as inhibition of LPS-induced p... | 23651359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23651359 | 10.1021/jm301905a | Prostaglandin G/H synthase 1 | 16 |
| 23651359 | 10.1021/jm301905a | ADMET | 1 |
| 23651359 | 10.1021/jm301905a | Albumin | 1 |
| 23651359 | 10.1021/jm301905a | COX-1/COX-2 | 1 |
| 23651359 | 10.1021/jm301905a | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine