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Compound Detail

CHEMBL4446869

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O=C1c2ccccc2C(=O)c2oc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446869
Phase Preclinical
Structure Type MOL
InChI Key BAOZBYZSQIHLPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
4.04
ALogP
5
HBA
0
HBD
70.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17F3N2O4
MW 454.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
31814956 10.1039/C9MD00295B Mycobacterium tuberculosis 8
30472602 10.1016/j.ejmech.2018.10.067 HepG2 1
30472602 10.1016/j.ejmech.2018.10.067 U-251 1
30472602 10.1016/j.ejmech.2018.10.067 CT26 1
30472602 10.1016/j.ejmech.2018.10.067 HT-29 1
30472602 10.1016/j.ejmech.2018.10.067 PC-3 1

Data from ChEMBL 36 via Core Engine