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Compound Detail

CHEMBL3325602

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CN(Cc1ccc(F)cc1)C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325602
Phase Preclinical
Structure Type MOL
InChI Key IJIPUYWECLXUHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.4
MW (Da)
4.83
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F4N4O
MW 428.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
25147620 10.1021/ml500244m Plasmodium yoelii 1
25147620 10.1021/ml500244m Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine