Compound Detail
CHEMBL3786159
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Basic Information
| ChEMBL ID | CHEMBL3786159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKXNPIBYSLVVPZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.0
MW (Da)
3.17
ALogP
6
HBA
3
HBD
108.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16.0 | nM | 7.8 | Inhibition of GST-tagged recombinant human full length PI4K3beta expressed in in... | 26885694 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 340.0 | nM | 6.47 | Inhibition of histidine-tagged recombinant human full length PI3Kdelta expressed... | 26885694 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of histidine-tagged recombinant human full length PI3Kgamma expressed... | 26885694 |
| Hepatitis C virus | IC50 | = | 4400.0 | nM | 5.36 | Antiviral activity against HCV genotype 2a J6/JFH1 infected in human Huh7.5 cell... | 26885694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Unchecked | 2 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 26885694 | 10.1021/acs.jmedchem.5b01311 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 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