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Compound Detail

CHEMBL5289580

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COc1ccc2c(c1)nc(NC1CCN(CCc3ccc(-c4nc(C)no4)cc3)CC1)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289580
Phase Preclinical
Structure Type MOL
InChI Key ZUDLVRYIPDNFSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.06
ALogP
8
HBA
1
HBD
81.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O2
MW 446.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 6.51 6.51 309.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 309.0 nM 6.51 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