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Compound Detail

CHEMBL5438176

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S=c1[nH]nc(-c2cccc(-c3ccccc3)c2)n1[C@@H]1C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438176
Phase Preclinical
Structure Type MOL
InChI Key VEMFJZWBMXAGKA-LEWJYISDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
6.00
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3S
MW 369.49
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
36030663 10.1016/j.bmc.2022.116964 Unchecked 6
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