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Compound Detail

CHEMBL1673240

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CN(CCc1ccccc1)c1cc(Br)cc(Br)c1O

Basic Information

ChEMBL ID CHEMBL1673240
Phase Preclinical
Structure Type MOL
InChI Key PCUHBQISUGMXRP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.1
MW (Da)
4.60
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15Br2NO
MW 385.10
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20547797 10.1128/aac.00431-10 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine