Compound Detail
CHEMBL3120779
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Basic Information
| ChEMBL ID | CHEMBL3120779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGKHUQNPPFVKTI-DXLKZPDWSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
-1.47
ALogP
9
HBA
4
HBD
149.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.54
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.54 | 5.8333 | 290.0 | 3 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.43 | 6.43 | 370.0 | 1 |
| Ebolavirus CHEMBL4434621 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | Inhibition of HCV genotype 1b recombinant NS5B RNA dependent RNA polymerase usin... | 23547794 |
| Unchecked | IC50 | = | 290.0 | nM | 6.54 | Inhibition of HCV1b NS5B polymerase | 24907145 |
| RNA-directed RNA polymerase | IC50 | = | 370.0 | nM | 6.43 | Inhibition of HCV NS5B RNA-dependent RNA polymerase using sshRNA template preinc... | 33835812 |
| Unchecked | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of RSV RNP complex transcription incubated for 90 mins by agarose gel... | 33835812 |
| Ebolavirus | EC50 | = | 50000.0 | nM | 4.3 | Antiviral activity against Ebolavirus Kikwit infected in human HeLa cells assess... | 28124907 |
Literature References
Data from ChEMBL 36 via Core Engine