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Compound Detail

CHEMBL5394457

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S=C(NCc1cccnc1)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5394457
Phase Preclinical
Structure Type MOL
InChI Key RGXNKIBFHMVLCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
2.67
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2OS
MW 258.35
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
36796300 10.1016/j.ejmech.2023.115186 Replicase polyprotein 1ab 4

Data from ChEMBL 36 via Core Engine