Compound Detail
CHEMBL3426599
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Basic Information
| ChEMBL ID | CHEMBL3426599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BENVEUQOMWIBNI-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
403.9
MW (Da)
2.92
ALogP
7
HBA
2
HBD
89.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.54
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.05 | 5.565 | 90.0 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 6.54 | 5.52 | 290.0 | 2 |
| Coxsackievirus B3 CHEMBL613554 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
| Human rhinovirus sp. CHEMBL612470 | EC50 | 5.96 | 5.96 | 1090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of PI4K3beta (unknown origin) assessed as hydrolysis of ATP for 60 mi... | 25897704 |
| Hepatitis C virus | EC50 | = | 290.0 | nM | 6.54 | Antiviral activity in HCV 1b infected in HUH 7-lunet cells after 3 days by Dual-... | 25897704 |
| Coxsackievirus B3 | EC50 | = | 750.0 | nM | 6.12 | Anticoxsackie activity in CVB3 strain Nancy infected in human HeLa cells assesse... | 25897704 |
| Human rhinovirus sp. | EC50 | = | 1090.0 | nM | 5.96 | Antirhinovirus activity in HRVM infected in H1-HeLa cells assessed as inhibition... | 25897704 |
| Hepatitis C virus | EC50 | = | 31800.0 | nM | 4.5 | Antiviral activity in HCV 2a JFH1 infected in HUH 7-lunet cells after 3 days by ... | 25897704 |
| Unchecked | IC50 | = | 82670.0 | nM | 4.08 | Inhibition of PI4K3alpha (unknown origin) assessed as hydrolysis of ATP for 60 m... | 25897704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Unchecked | 2 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Hepatitis C virus | 2 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Human rhinovirus sp. | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Coxsackievirus B3 | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Phosphatidylinositol 4-kinase type 2-alpha | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | HeLa | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
| 25897704 | 10.1021/acs.jmedchem.5b00499 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine