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Compound Detail

CHEMBL92507

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CC1CCCC2(C1)OOC1(CCCC(C)C1)OO2

Basic Information

ChEMBL ID CHEMBL92507
Phase Preclinical
Structure Type MOL
InChI Key DSXNASZPNPWGEB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.71
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H24O4
MW 256.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.75

Activity Summary

IC50 3 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.8 7.8 16.0 1
Plasmodium falciparum
CHEMBL364
IC50 7.29 7.205 51.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10893313 10.1021/jm0000766 Plasmodium falciparum 2
10893313 10.1021/jm0000766 Unchecked 1

Data from ChEMBL 36 via Core Engine