Compound Detail
CHEMBL74478
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Basic Information
| ChEMBL ID | CHEMBL74478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOCARSGZHMZWCE-QHHAFSJGSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
217.2
MW (Da)
0.26
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| HFF CHEMBL614071 | IC50 | 4.44 | 4.24 | 36000.0 | 2 |
| Daudi CHEMBL614281 | IC50 | 4.15 | 4.15 | 71400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3000.0 | nM | 5.52 | Inhibitory concentration against epstein-barr virus (EBV) infected H-1 cells was... | 9438017 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 14000.0 | nM | 4.85 | Inhibitory concentration against human immunodeficiency virus type 1 (HIV-1 stra... | 9438017 |
| HFF | IC50 | = | 36000.0 | nM | 4.44 | Inhibitory concentration against herpes simplex virus type 1 (HSV-1) infected HF... | 9438017 |
| Daudi | IC50 | = | 71400.0 | nM | 4.15 | Inhibitory concentration against epstein-barr virus (EBV) infected daudi cells w... | 9438017 |
| HFF | IC50 | = | 90200.0 | nM | 4.04 | IC50 value was evaluated by measuring the %inhibition of Varicella Zoster virus(... | 9438017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438017 | 10.1021/jm9705723 | HFF | 8 |
| 9438017 | 10.1021/jm9705723 | MEF | 2 |
| 9438017 | 10.1021/jm9705723 | Vero | 2 |
| 9438017 | 10.1021/jm9705723 | CCRF-CEM | 2 |
| 9438017 | 10.1021/jm9705723 | NON-PROTEIN TARGET | 2 |
| 9438017 | 10.1021/jm9705723 | Daudi | 2 |
| 9438017 | 10.1021/jm9705723 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 14561099 | 10.1021/jm030048y | Human immunodeficiency virus 1 | 1 |
| 14561099 | 10.1021/jm030048y | Human betaherpesvirus 5 | 1 |
| 14561099 | 10.1021/jm030048y | Human gammaherpesvirus 4 | 1 |
| 14561099 | 10.1021/jm030048y | Human alphaherpesvirus 3 | 1 |
| 9438017 | 10.1021/jm9705723 | KB | 1 |
| 9438017 | 10.1021/jm9705723 | Human alphaherpesvirus 1 | 1 |
| 9438017 | 10.1021/jm9705723 | HepG2 | 1 |
| 9438017 | 10.1021/jm9705723 | CEM-SS | 1 |
Data from ChEMBL 36 via Core Engine