Compound Detail
CHEMBL295759
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Basic Information
| ChEMBL ID | CHEMBL295759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEPKMXJNPYVEMB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL307437 |
| Active Moiety | CHEMBL307437 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
197.3
MW (Da)
2.45
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.7
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| FM3A CHEMBL614297 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 2000.0 | nM | 5.7 | In vitro antimalarial activity against Plasmodium falciparum FCR3 | 15026051 |
| Plasmodium falciparum | IC50 | = | 5100.0 | nM | 5.29 | Antimalarial activity against chloroquine and pyrimethamine-resistant Plasmodium... | 19781948 |
| FM3A | EC50 | = | 35000.0 | nM | 4.46 | In vitro cytotoxic activity tested in mouse mammary tumor FM3A cells | 15026051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026051 | 10.1016/j.bmcl.2004.01.055 | FM3A | 2 |
| 15026051 | 10.1016/j.bmcl.2004.01.055 | Plasmodium falciparum | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Unchecked | 1 |
| 19781948 | 10.1016/j.bmc.2009.08.057 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine