Compound Detail
CHEMBL3235781
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Basic Information
| ChEMBL ID | CHEMBL3235781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNIZXZATIDMLIA-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3302396 |
| Active Moiety | CHEMBL3302396 |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
3.50
ALogP
4
HBA
1
HBD
42.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 7.05 | 7.05 | 90.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Homo sapiens |
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 90.0 | nM | 7.05 | Antiviral activity against cell culture derived Hepatitis C virus expressing NS5... | 24675178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675178 | 10.1016/j.ejmech.2014.03.030 | Liver microsome | 2 |
| 24675178 | 10.1016/j.ejmech.2014.03.030 | Hepatitis C virus | 1 |
| 24675178 | 10.1016/j.ejmech.2014.03.030 | ADMET | 1 |
| 24675178 | 10.1016/j.ejmech.2014.03.030 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine