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Compound Detail

CHEMBL4864612

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FC1CCN(Cc2ccc(C3CCCC4(C3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864612
Phase Preclinical
Structure Type MOL
InChI Key RSMHCWZZCNPZOD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
6.04
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38FNO4
MW 471.61
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 0.24

Activity Summary

IC50 2 meas. best 7.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.84 7.82 14.4 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 14.44 nM 7.84 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... 34267877
Plasmodium falciparum IC50 = 15.68 nM 7.8 Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 ... 34267877

Literature References

PubMed DOI Target Context # Activities
34267877 10.1021/acsmedchemlett.1c00031 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine