Compound Detail
CHEMBL578881
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Basic Information
| ChEMBL ID | CHEMBL578881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFKFRUIOKSHGEJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
3.77
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.19 | 6.095 | 643.0 | 2 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 643.0 | nM | 6.19 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 1005.0 | nM | 6.0 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Hepatitis B virus | EC50 | = | 5600.0 | nM | 5.25 | Antiviral activity against Hepatitis B virus infected in human HepG2(2.2.15) cel... | 21553812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22059983 | 10.1021/jm201264t | Hepatitis C virus | 4 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 21553812 | 10.1021/jm200153p | Hepatitis B virus | 2 |
| 22059983 | 10.1021/jm201264t | ADMET | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 21553812 | 10.1021/jm200153p | Unchecked | 1 |
| 21553812 | 10.1021/jm200153p | ADMET | 1 |
| 22059983 | 10.1021/jm201264t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine