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Compound Detail

CHEMBL4863264

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Cc1ccc(Cn2c(NC3CCN(CCc4ccc(C#N)cc4)CC3)nc3ccccc32)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863264
Phase Preclinical
Structure Type MOL
InChI Key INKFKIAOZMJVSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
4.78
ALogP
6
HBA
1
HBD
69.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N6
MW 450.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.59

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.58 6.58 261.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 261.0 nM 6.58 Antiplasmodial activity against chloroquine-sensitive synchronized Plasmodium fa... 34413963

Literature References

PubMed DOI Target Context # Activities
34413963 10.1021/acsmedchemlett.1c00328 Plasmodium falciparum 2
34413963 10.1021/acsmedchemlett.1c00328 No relevant target 1

Data from ChEMBL 36 via Core Engine