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Compound Detail

CHEMBL1352550

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O=C(O)c1ccc(-n2c(S)nnc2-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1352550
Phase Preclinical
Structure Type MOL
InChI Key SCJPVOFALDDQAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
2.92
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.73
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 C15H11N3O2S
MW 297.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
36030663 10.1016/j.bmc.2022.116964 Unchecked 4
36030663 10.1016/j.bmc.2022.116964 Beta-lactamase VIM-1 1
36030663 10.1016/j.bmc.2022.116964 Metallo-beta-lactamase type 2 1

Data from ChEMBL 36 via Core Engine