Compound Detail
CHEMBL343286
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL343286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRCSWAWBGLWGRP-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
2.59
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.57
IC50 2 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 7.57 | 6.96 | 26.7 | 2 |
| dengue virus type 2 CHEMBL613966 | EC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 26.73 | nM | 7.57 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| dengue virus type 2 | EC50 | = | 29.0 | nM | 7.54 | Antiviral activity against Dengue virus 2 infected in BHK-D2RepT replicon system... | 22448770 |
| Plasmodium falciparum | EC50 | = | 448.0 | nM | 6.35 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2404122 | 10.1021/jm00163a067 | Dihydrofolate reductase | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 2404122 | 10.1021/jm00163a067 | No relevant target | 1 |
| 2404122 | 10.1021/jm00163a067 | Staphylococcus aureus | 1 |
| 2404122 | 10.1021/jm00163a067 | Escherichia coli | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 22096101 | 10.1126/science.1211936 | Plasmodium yoelii | 1 |
| 22448770 | 10.1021/jm2015952 | dengue virus type 2 | 1 |
| 22448770 | 10.1021/jm2015952 | ADMET | 1 |
| 22448770 | 10.1021/jm2015952 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine