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

CHEMBL5410453

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
CC(C)=CCCc1cnc2c(C)cc(OCc3cccc(Cl)c3)c3c2c1CC[C@H]3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410453
Phase Preclinical
Structure Type MOL
InChI Key SWAUFURFOAGFCR-GOSISDBHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.0
MW (Da)
7.72
ALogP
2
HBA
0
HBD
22.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30ClNO
MW 420.00
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 0.31

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 11000.0 nM 4.96 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