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Compound Detail

CHEMBL5614337

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Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N3CCc4ccccc43)c12

Basic Information

ChEMBL ID CHEMBL5614337
Phase Preclinical
Structure Type MOL
InChI Key IZGCFJDSFQJYSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
4.58
ALogP
4
HBA
0
HBD
51.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O
MW 374.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.74

Activity Summary

EC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
EC50 5.61 5.61 2480.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum EC50 = 2480.0 nM 5.61 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