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Compound Detail

CHEMBL4217321

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CC(C)(C)NC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217321
Phase Preclinical
Structure Type MOL
InChI Key JSZPYECDSXKHHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

423.5
MW (Da)
4.61
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.64
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 C24H30FN5O
MW 423.54
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
29042223 10.1016/j.bmc.2017.10.004 Plasmodium falciparum 5

Data from ChEMBL 36 via Core Engine