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Compound Detail

CHEMBL260814

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O=C(CCN1CCOCC1)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260814
Phase Preclinical
Structure Type MOL
InChI Key ZLGPSAUGCOHPGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.73
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.75
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 C13H16FNO2
MW 237.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
17545669 10.1074/jbc.m701857200 Sortase A 1
17545669 10.1074/jbc.m701857200 Unchecked 1
17545669 10.1074/jbc.m701857200 Papain 1

Data from ChEMBL 36 via Core Engine