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Compound Detail

CHEMBL250732

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CC(=O)N(O)C/C=C(/c1ccsc1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250732
Phase Preclinical
Structure Type MOL
InChI Key YOWSHBLGHNOFEY-MBXJOHMKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.2
MW (Da)
1.50
ALogP
4
HBA
3
HBD
98.1
PSA (Ų)
0.44
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 C9H12NO5PS
MW 277.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
17583502 10.1016/j.bmcl.2007.06.026 Unchecked 1

Data from ChEMBL 36 via Core Engine