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Compound Detail

CHEMBL4595442

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O=C1N2CC=C(c3cnco3)C(C2)N1OS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595442
Phase Preclinical
Structure Type MOL
InChI Key BBYJBBKRXUNZEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.2
MW (Da)
-0.09
ALogP
6
HBA
1
HBD
113.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N3O6S
MW 287.25
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.26

Data from ChEMBL 36 via Core Engine