Compound Detail
CHEMBL3126904
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CN(C)c1ncnc2c1c(-c1cc3ccccc3o1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL3126904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKOFOFPJLVNKOO-QTQZEZTPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
1.52
ALogP
9
HBA
3
HBD
117.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 19200.0 | nM | 4.72 | Antiviral activity against Hepatitis C virus subtype 1b infected in human HuH7 c... | 24397620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24397620 | 10.1021/jm4018948 | Hepatitis C virus | 2 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus aureus | 2 |
| 24397620 | 10.1021/jm4018948 | Escherichia coli | 2 |
| 24397620 | 10.1021/jm4018948 | Pseudomonas aeruginosa | 2 |
| 24397620 | 10.1021/jm4018948 | K562 | 2 |
| 24397620 | 10.1021/jm4018948 | HCT-116 | 2 |
| 24397620 | 10.1021/jm4018948 | NON-PROTEIN TARGET | 2 |
| 24397620 | 10.1021/jm4018948 | Huh-7 | 2 |
| 24397620 | 10.1021/jm4018948 | HepG2 | 1 |
| 24397620 | 10.1021/jm4018948 | A549 | 1 |
| 24397620 | 10.1021/jm4018948 | HL-60 | 1 |
| 24397620 | 10.1021/jm4018948 | CCRF-CEM | 1 |
| 24397620 | 10.1021/jm4018948 | Mycobacterium tuberculosis | 1 |
| 24397620 | 10.1021/jm4018948 | MRC5 | 1 |
| 24397620 | 10.1021/jm4018948 | BJ | 1 |
| 24397620 | 10.1021/jm4018948 | Candida tropicalis | 1 |
| 24397620 | 10.1021/jm4018948 | Pichia kudriavzevii | 1 |
| 24397620 | 10.1021/jm4018948 | Candida parapsilosis | 1 |
| 24397620 | 10.1021/jm4018948 | Candida albicans | 1 |
| 24397620 | 10.1021/jm4018948 | Staphylococcus haemolyticus | 1 |
Data from ChEMBL 36 via Core Engine