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Compound Detail

CHEMBL5613593

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CC(C)(C)n1nc(-c2ccccc2)c2c(C(=O)N3CCOc4ccccc43)cc(C3CC3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5613593
Phase Preclinical
Structure Type MOL
InChI Key KWPMQAYTWGHTCI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

452.6
MW (Da)
5.77
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28N4O2
MW 452.56
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 5.66 5.66 2180.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 2180.0 nM 5.66 Antiplasmodial activity against asexual blood stage of Plasmodium falciparum 3D7... 39024967

Literature References

PubMed DOI Target Context # Activities
39024967 10.1016/j.ejmech.2024.116677 Plasmodium falciparum 1
39024967 10.1016/j.ejmech.2024.116677 HepG2 1

Data from ChEMBL 36 via Core Engine