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Compound Detail

CHEMBL3976233

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Cc1no[n+]([O-])c1COc1ccc(/C=C2\SC(=S)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3976233
Phase Preclinical
Structure Type MOL
InChI Key KOGHDARTJSYCRW-SDQBBNPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.68
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O4S2
MW 349.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.37

Data from ChEMBL 36 via Core Engine