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Compound Detail

CHEMBL5276272

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COC(=O)c1ccc(CCN2CCC(Nc3nc4ccccc4n3C)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5276272
Phase Preclinical
Structure Type MOL
InChI Key CGWMORZOZOUSND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
3.48
ALogP
6
HBA
1
HBD
59.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4O2
MW 392.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.84 5.84 1450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 1450.0 nM 5.84 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