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Compound Detail

CHEMBL5424190

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CC(C)=CCCc1cnc2c(C)cc(OC3CCCC3)c3c2c1CC[C@H]3C

Basic Information

ChEMBL ID CHEMBL5424190
Phase Preclinical
Structure Type MOL
InChI Key IHLUNMKMDRBGAH-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.6
MW (Da)
6.81
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H33NO
MW 363.55
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.90

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 4.9 4.9 12500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 12500.0 nM 4.9 Antiplasmodial activity against choloroquine-sensitive ring stage of Plasmodium ... 38416027

Literature References

PubMed DOI Target Context # Activities
38416027 10.1021/acs.jnatprod.3c01072 Plasmodium falciparum 1
38416027 10.1021/acs.jnatprod.3c01072 HEK293 1

Data from ChEMBL 36 via Core Engine