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Compound Detail

CHEMBL5288925

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Cn1c(NC2CCN(CCc3ccc(C(=O)N4CCC(O)C4)cc3)CC2)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5288925
Phase Preclinical
Structure Type MOL
InChI Key XQRCBULIOFDTRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

447.6
MW (Da)
2.90
ALogP
6
HBA
2
HBD
73.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N5O2
MW 447.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.36

Activity Summary

IC50 1 meas. best 5.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.4 5.4 3990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 3990.0 nM 5.4 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