Compound Detail
CHEMBL1717333
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Basic Information
| ChEMBL ID | CHEMBL1717333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLBKTSMZCIBQGM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
6.18
ALogP
4
HBA
0
HBD
21.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.9
IC50 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Integrin alpha-4 CHEMBL278 | EC50 | 4.54 | 4.54 | 29140.0 | 1 |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D CHEMBL4630839 | IC50 | 4.17 | 4.17 | 67000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 12600.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Integrin alpha-4 | EC50 | = | 29140.0 | nM | 4.54 | PUBCHEM_BIOASSAY: SAR Confirmatory Dose Response LIBS Assay for Allosteric Ligan... | - |
| N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D | IC50 | = | 67000.0 | nM | 4.17 | Inhibition of full length human 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 | 1 |
Data from ChEMBL 36 via Core Engine