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Compound Detail

CHEMBL5397771

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S=c1[nH]nc(-c2ccc3ccccc3c2)n1[C@@H]1C[C@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5397771
Phase Preclinical
Structure Type MOL
InChI Key UVJPDELDYRKYDX-RBUKOAKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

343.4
MW (Da)
5.49
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3S
MW 343.45
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.70

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