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Compound Detail

CHEMBL5417692

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O=C(NCc1ccccc1)c1ccccc1CCn1c(-c2ccccc2)n[nH]c1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417692
Phase Preclinical
Structure Type MOL
InChI Key CDMZOTGZFJFBAK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
4.78
ALogP
4
HBA
2
HBD
62.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4OS
MW 414.53
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
36030663 10.1016/j.bmc.2022.116964 Unchecked 5
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