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Compound Detail

CHEMBL1673257

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Brc1cccc(NC2CCN(CCc3ccccc3)CC2)c1

Basic Information

ChEMBL ID CHEMBL1673257
Phase Preclinical
Structure Type MOL
InChI Key STWGUDFCKUUKHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
4.57
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23BrN2
MW 359.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 490.0 nM 6.31 Antiplasmodial activity against Plasmodium falciparum 3D7 infected in RBCs by fi... 20547797

Literature References

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

Data from ChEMBL 36 via Core Engine