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Compound Detail

CHEMBL5218927

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CC(C)(C)c1cc(C(O)C/C(N)=N/c2ccc(F)cc2)cc(C(C)(C)C)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218927
Phase Preclinical
Structure Type MOL
InChI Key VOKJTJGVUCCUCC-UHFFFAOYSA-N
Parent Compound CHEMBL5223015
Active Moiety CHEMBL5223015
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.53
ALogP
2
HBA
2
HBD
58.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32ClFN2O
MW 406.97
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.65

Activity Summary

IC50 2 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.48 6.47 330.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 330.0 nM 6.48 Antiplasmodial activity against chloroquine-sensitive asexual blood stage Plasmo... 33666415
Plasmodium falciparum IC50 = 350.0 nM 6.46 Antiplasmodial activity against multidrug resistant asexual blood stage Plasmodi... 33666415

Literature References

PubMed DOI Target Context # Activities
33666415 10.1021/acs.jmedchem.0c01744 Plasmodium falciparum 2
33666415 10.1021/acs.jmedchem.0c01744 HepG2 1
33666415 10.1021/acs.jmedchem.0c01744 ADMET 1

Data from ChEMBL 36 via Core Engine