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Compound Detail

CHEMBL5278756

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CN(C)Cc1noc(-c2ccc(CCN3CCC(Nc4nc5ccccc5n4C)CC3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5278756
Phase Preclinical
Structure Type MOL
InChI Key LDGQRFIKBLLOBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
3.80
ALogP
8
HBA
1
HBD
75.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N7O
MW 459.60
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.08 6.08 831.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 831.0 nM 6.08 Antiplasmodial activity against chloroquine sensitive Plasmodium falciparum NF54... 36507890

Literature References

PubMed DOI Target Context # Activities
36507890 10.1021/acs.jmedchem.2c01516 Plasmodium falciparum 1
36507890 10.1021/acs.jmedchem.2c01516 No relevant target 1

Data from ChEMBL 36 via Core Engine