Compound Detail
CHEMBL410078
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Basic Information
| ChEMBL ID | CHEMBL410078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNFCEQWFEVIJCV-MRYAYROQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
2.34
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 85000.0 | nM | 4.07 | Antiviral activity against HCV 1b Con1 replicon in Huh7 cells | 17997319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17997319 | 10.1016/j.bmc.2007.10.063 | L1210 | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | HL-60 | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | CCRF-CEM | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | ADMET | 1 |
| 17997319 | 10.1016/j.bmc.2007.10.063 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine