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Compound Detail

CHEMBL3099041

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FC(CN1CCN(CC2CCCCC2)CC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099041
Phase Preclinical
Structure Type MOL
InChI Key FBWBPFFZPJJSGX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

565.4
MW (Da)
6.86
ALogP
3
HBA
0
HBD
11.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32Br2FN3
MW 565.37
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 6.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.97 6.97 106.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 106.0 nM 6.97 Antimalarial activity against Plasmodium falciparum K1 infected in human RBC aft... 24900603

Literature References

PubMed DOI Target Context # Activities
24900603 10.1021/ml400015f Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine