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Compound Detail

CHEMBL4125789

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CN1CCN(NC(=O)CN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4125789
Phase Preclinical
Structure Type MOL
InChI Key SHWWLFGNZIRLQZ-UVTDQMKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
1.31
ALogP
6
HBA
1
HBD
55.9
PSA (Ų)
0.61
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 C17H19FN4O2S2
MW 394.50
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -2.11

Literature References

PubMed DOI Target Context # Activities
29655609 10.1016/j.bmc.2018.02.043 Unchecked 4
29655609 10.1016/j.bmc.2018.02.043 Metallo-beta-lactamase type 2 1
29655609 10.1016/j.bmc.2018.02.043 Beta-lactamase TEM 1
29655609 10.1016/j.bmc.2018.02.043 Beta-lactamase CTX-M 1
29655609 10.1016/j.bmc.2018.02.043 Beta-lactamase 1
29655609 10.1016/j.bmc.2018.02.043 Beta-lactamase OXA-10 1

Data from ChEMBL 36 via Core Engine