Compound Detail
CHEMBL4530126
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Basic Information
| ChEMBL ID | CHEMBL4530126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGSJHHLNJBDPDE-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4595324 |
| Active Moiety | CHEMBL4595324 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
3.46
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.36 | 7.33 | 43.6 | 2 |
| CHO-K1 CHEMBL614031 | IC50 | 4.52 | 4.52 | 30400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 43.6 | nM | 7.36 | Antimalarial activity against asexual stage of Plasmodium falciparum Dd2 infecte... | 31938463 |
| Plasmodium falciparum | IC50 | = | 50.5 | nM | 7.3 | Antimalarial activity against asexual stage of Plasmodium falciparum 3D7 infecte... | 31938463 |
| CHO-K1 | IC50 | = | 30400.0 | nM | 4.52 | Cytotoxicity against CHOK1 cells assessed as reduction in cell viability incubat... | 31938463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938463 | 10.1021/acsmedchemlett.9b00457 | Plasmodium falciparum | 2 |
| 31938463 | 10.1021/acsmedchemlett.9b00457 | CHO-K1 | 1 |
| 34706190 | 10.1021/acs.jmedchem.1c01383 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine