Compound Detail
CHEMBL341729
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Basic Information
| ChEMBL ID | CHEMBL341729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEMJRGOKYONBFD-CSKARUKUSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.16
ALogP
5
HBA
0
HBD
57.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.7 | 5.53 | 2000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| Plasmodium falciparum | IC50 | = | 2000.0 | nM | 5.7 | Antimalarial activity against Plasmodium falciparum K1 by [3H]hypoxanthine uptak... | 19299148 |
| Plasmodium falciparum | IC50 | = | 2800.0 | nM | 5.55 | Antimalarial activity against Plasmodium falciparum W2 | 16908136 |
| Plasmodium falciparum | IC50 | = | 6700.0 | nM | 5.17 | Antimalarial activity against Plasmodium falciparum D6 | 16908136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908136 | 10.1016/j.bmcl.2006.08.009 | Plasmodium falciparum | 3 |
| 11728189 | 10.1021/jm0101747 | Mus musculus | 2 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 11728189 | 10.1021/jm0101747 | Unchecked | 1 |
| 19299148 | 10.1016/j.bmc.2009.02.050 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine