Compound Detail
CHEMBL194760
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Basic Information
| ChEMBL ID | CHEMBL194760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVWGBBAJYDIQRO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
3.61
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.64 | 5.315 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of mouse COX2-mediated 2-arachidonoylglycerol oxygenation preincubate... | 22984634 |
| Prostaglandin G/H synthase 2 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of COX2-mediated 2-arachidonoylglycerol oxygenation in LPS/IFN-gamma-... | 22984634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22984634 | 10.1021/ml3001616 | Prostaglandin G/H synthase 2 | 5 |
| 16134939 | 10.1021/jm0502541 | Amyloid-beta precursor protein | 3 |
| 16134939 | 10.1021/jm0502541 | ADMET | 3 |
| 21405086 | 10.1021/jm101450p | RAW264.7 | 3 |
| 16134939 | 10.1021/jm0502541 | Prostaglandin G/H synthase 1 | 1 |
| 16134939 | 10.1021/jm0502541 | Cytochrome P450 2C9 | 1 |
| 21405086 | 10.1021/jm101450p | N2a | 1 |
Data from ChEMBL 36 via Core Engine