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Compound Detail

CHEMBL5614092

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Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCCCC3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5614092
Phase Preclinical
Structure Type MOL
InChI Key PHURGOCQBMZBTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
4.00
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O
MW 340.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

EC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 EC50 6.2 6.2 635.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 635.0 nM 6.2 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