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Compound Detail

CHEMBL432296

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Fc1ccc(Cn2c(NC3CCN(C/C=C/c4ccccc4)CC3)nc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL432296
Phase Preclinical
Structure Type MOL
InChI Key WVOZXGZNQPYOQX-RMKNXTFCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
5.81
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29FN4
MW 440.57
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.14 6.14 718.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 718.0 nM 6.14 Antimalarial activity against Plasmodium falciparum 3D7 infected in ARh+ human e... 29042223

Literature References

PubMed DOI Target Context # Activities
29042223 10.1016/j.bmc.2017.10.004 Plasmodium falciparum 5
3934386 10.1021/jm00150a029 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine