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Compound Detail

CHEMBL4859607

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CSc1ccc(N2/C(=N/c3ccccc3)CC2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859607
Phase Preclinical
Structure Type MOL
InChI Key VNDYRTZIRNBEGL-GHVJWSGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
6.09
ALogP
2
HBA
0
HBD
15.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2S
MW 344.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
33862516 10.1016/j.ejmech.2021.113418 Unchecked 3
33862516 10.1016/j.ejmech.2021.113418 Class A carbapenemase KPC-2 1

Data from ChEMBL 36 via Core Engine