Compound Detail
CHEMBL3785694
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Basic Information
| ChEMBL ID | CHEMBL3785694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIAQCNNEFUFRMN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
2.38
ALogP
7
HBA
3
HBD
117.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 36.0 | nM | 7.44 | Inhibition of GST-tagged recombinant human full length PI4K3beta expressed in in... | 26885694 |
| Hepatitis C virus | IC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against HCV genotype 2a J6/JFH1 infected in human Huh7.5 cell... | 26885694 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed... | 26885694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 2 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Unchecked | 1 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Hepatitis C virus | 1 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine