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Compound Detail

CHEMBL418569

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O=C(O)c1cn(C2CC2)c2cc(N3CCOCC3)c(F)cc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL418569
Phase Preclinical
Structure Type MOL
InChI Key XGSYZQWPDOWCHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
2.01
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.93
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 C17H17FN2O4
MW 332.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
8388467 10.1021/jm00062a007 GABA-A receptor; anion channel 5
8388467 10.1021/jm00062a007 Staphylococcus aureus 2
8388467 10.1021/jm00062a007 Mus musculus 2
8388467 10.1021/jm00062a007 Streptococcus pneumoniae 1
8388467 10.1021/jm00062a007 Enterococcus faecalis 1
8388467 10.1021/jm00062a007 Escherichia coli 1
8388467 10.1021/jm00062a007 Pseudomonas aeruginosa 1
31182257 10.1016/j.bmc.2019.05.038 Pseudomonas aeruginosa 1
31182257 10.1016/j.bmc.2019.05.038 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine