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Compound Detail

CHEMBL3793864

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CC(C)=CCCC1=CCC2(C(=O)C(C)(C)C(=O)C(C)(C)C2=O)C(CC(C)C)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793864
Phase Preclinical
Structure Type MOL
InChI Key TWGHLFMURTVYAB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
5.88
ALogP
3
HBA
0
HBD
51.2
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H38O3
MW 386.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 1.67

Activity Summary

IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.42 5.42 3810.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 3810.0 nM 5.42 Antiplasmodial activity against Plasmodium falciparum Dd2 incubated under low ox... 27112454

Literature References

PubMed DOI Target Context # Activities
27112454 10.1016/j.bmc.2016.04.020 HEK293 1
27112454 10.1016/j.bmc.2016.04.020 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine