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Compound Detail

CHEMBL5404284

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O=C1OC(Cn2c(-c3cccc(-c4ccccc4)c3)n[nH]c2=S)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5404284
Phase Preclinical
Structure Type MOL
InChI Key WTZDSIJYHGJVAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
5.19
ALogP
5
HBA
1
HBD
59.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O2S
MW 399.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
36030663 10.1016/j.bmc.2022.116964 Unchecked 5
36030663 10.1016/j.bmc.2022.116964 Metallo-beta-lactamase type 2 2
36030663 10.1016/j.bmc.2022.116964 Beta-lactamase VIM-1 1

Data from ChEMBL 36 via Core Engine