Compound Detail
CHEMBL4746648
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Basic Information
| ChEMBL ID | CHEMBL4746648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPBGIIQHYNFABO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
2.08
ALogP
5
HBA
3
HBD
124.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D CHEMBL4630839 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D CHEMBL2163172 | IC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using ... | 33382264 |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | IC50 | = | 54000.0 | nM | 4.27 | Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using ... | 33382264 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33382264 | 10.1021/acs.jmedchem.0c01441 | N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | 2 |
Data from ChEMBL 36 via Core Engine