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Compound Detail

CHEMBL4859040

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CCc1ccccc1CNC(=O)c1nc2ccc(F)c(OCCc3ccc(C(=O)O)cc3)c2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859040
Phase Preclinical
Structure Type MOL
InChI Key LTFXXGVJKKMMCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
3.87
ALogP
5
HBA
3
HBD
121.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24FN3O5
MW 489.50
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
34437804 10.1021/acs.jmedchem.1c00441 HEK293 1
34437804 10.1021/acs.jmedchem.1c00441 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine