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Compound Detail

CHEMBL3325603

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CN1CCC(N(C)C(=O)c2cn3c(-c4ccc(C(F)(F)F)cc4)cnc3cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3325603
Phase Preclinical
Structure Type MOL
InChI Key BCSCWTSBWAGEIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.4
MW (Da)
3.58
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22F3N5O
MW 417.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

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