Compound Detail
CHEMBL23290
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Basic Information
| ChEMBL ID | CHEMBL23290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHJGPBPUDZKERJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
3.48
ALogP
4
HBA
2
HBD
30.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.25
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 320.0 | nM | 6.5 | Antiviral activity against cell culture derived HCV expressing NS5A-GFP fusion p... | 24177358 |
| PC-3 | IC50 | = | 56000.0 | nM | 4.25 | Inhibition of human prostate cancer cell line PC-3 growth | 11965367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11965367 | 10.1016/s0960-894x(02)00156-7 | MDA-MB-231 | 1 |
| 11965367 | 10.1016/s0960-894x(02)00156-7 | PC-3 | 1 |
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Unchecked | 1 |
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Huh-7 | 1 |
| 24177358 | 10.1016/j.ejmech.2013.09.055 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine