Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL421338

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1=CCC2CC1OO[C@@]2(C)CSc1ccccc1

Basic Information

ChEMBL ID CHEMBL421338
Phase Preclinical
Structure Type MOL
InChI Key LZJLQLVYXVPNDB-BCLQGDPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.4
MW (Da)
4.22
ALogP
3
HBA
0
HBD
18.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20O2S
MW 276.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.32

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 940.0 nM 6.03 In vitro antimalarial activity against chloroquine-sensitive NF54 strain of Plas... 12773055

Literature References

PubMed DOI Target Context # Activities
12773055 10.1021/jm020584a Unchecked 1

Data from ChEMBL 36 via Core Engine