Compound Detail
CHEMBL1652261
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Basic Information
| ChEMBL ID | CHEMBL1652261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMMRNEAGFOALKT-AREMUKBSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
599.8
MW (Da)
6.22
ALogP
10
HBA
3
HBD
154.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.16 | 4.865 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 7000.0 | nM | 5.16 | Antiviral activity against HCV1B BM4-5 infected in human Huh7.5 cells assessed a... | 19289518 |
| Hepatitis C virus | EC50 | = | 26700.0 | nM | 4.57 | Antiviral activity against HCV2A SGR-JFH-1 infected in human Huh7.5 cells assess... | 19289518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19289518 | 10.1128/aac.01546-08 | Hepatitis C virus | 2 |
| 19289518 | 10.1128/aac.01546-08 | Unchecked | 2 |
| 19289518 | 10.1128/aac.01546-08 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine