Compound Detail
CHEMBL493860
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Basic Information
| ChEMBL ID | CHEMBL493860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYWXYVLJVPHUNS-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
417.0
MW (Da)
6.14
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.37 | 7.115 | 42.9 | 4 |
| K562 CHEMBL385 | IC50 | 5.54 | 5.54 | 2920.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.41 | 5.15 | 3878.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 42.9 | nM | 7.37 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 as... | 18562202 |
| Plasmodium falciparum | IC50 | = | 42.9 | nM | 7.37 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum D10 in... | 20797868 |
| Plasmodium falciparum | IC50 | = | 139.5 | nM | 6.86 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 as ... | 18562202 |
| Plasmodium falciparum | IC50 | = | 139.5 | nM | 6.86 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 inf... | 20797868 |
| K562 | IC50 | = | 2920.0 | nM | 5.54 | Cytotoxicity against human K562 cells by MTT assay | 18562202 |
| ADMET | IC50 | = | 3878.0 | nM | 5.41 | Cytotoxicity against mouse WEHI13 cells by MTT assay | 18562202 |
| ADMET | IC50 | = | 12874.0 | nM | 4.89 | Cytotoxicity against HMEC1 cells by MTT assay | 18562202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20797868 | 10.1016/j.bmc.2010.08.001 | Plasmodium falciparum | 5 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | Plasmodium falciparum | 4 |
| 20797868 | 10.1016/j.bmc.2010.08.001 | ADMET | 4 |
| 20797868 | 10.1016/j.bmc.2010.08.001 | No relevant target | 4 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | ADMET | 2 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | Unchecked | 1 |
| 18562202 | 10.1016/j.bmc.2008.05.068 | K562 | 1 |
| 20797868 | 10.1016/j.bmc.2010.08.001 | K562 | 1 |
| 20797868 | 10.1016/j.bmc.2010.08.001 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine