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Compound Detail

CHEMBL5408462

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C[C@H](Cc1ccccc1)Nc1ccnc2cc(Cl)ccc12

Basic Information

ChEMBL ID CHEMBL5408462
Phase Preclinical
Structure Type MOL
InChI Key QCBNDLLAZLLSBO-CYBMUJFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.8
MW (Da)
4.93
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClN2
MW 296.80
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.98

Activity Summary

IC50 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium berghei
CHEMBL612653
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 berghei IC50 = 490.0 nM 6.31 Antimalarial activity against Plasmodium berghei ANKA 37163950

Literature References

PubMed DOI Target Context # Activities
37163950 10.1016/j.ejmech.2023.115458 Plasmodium berghei 1

Data from ChEMBL 36 via Core Engine