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Compound Detail

CHEMBL468024

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Cc1c(Br)c(=O)c(-c2ccc(Oc3ccc(Cl)cc3)cc2)c(C)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468024
Phase Preclinical
Structure Type MOL
InChI Key UNPPQMBKJXUHPR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.7
MW (Da)
5.58
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrClNO3
MW 420.69
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.35

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 450.0 nM 6.35 Antimalarial activity against Plasmodium falciparum T9-96 infected Rhesus positi... 18396855

Literature References

PubMed DOI Target Context # Activities
18396855 10.1021/jm0705760 Plasmodium falciparum 1
18396855 10.1021/jm0705760 Plasmodium yoelii 1

Data from ChEMBL 36 via Core Engine