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Compound Detail

CHEMBL4551735

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N#C/C(=C(/O)c1cc(O)c(O)c([N+](=O)[O-])c1)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4551735
Phase Preclinical
Structure Type MOL
InChI Key ONHSAXYHQRARSD-ZROIWOOFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.3
MW (Da)
3.57
ALogP
8
HBA
3
HBD
140.5
PSA (Ų)
0.21
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 C16H9N3O5S
MW 355.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.12

Data from ChEMBL 36 via Core Engine