Compound Detail
CHEMBL1172320
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Basic Information
| ChEMBL ID | CHEMBL1172320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYITXOTTZQOBMZ-CHHVJCJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.03
ALogP
5
HBA
1
HBD
65.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of HCV genotype 1b J4 N-terminal His-tagged NS5Bdelta21 polymerase ex... | 21699179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
| 21699179 | 10.1021/jm200242p | Unchecked | 2 |
| 21699179 | 10.1021/jm200242p | Huh-7 | 1 |
| 21699179 | 10.1021/jm200242p | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine