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Compound Detail

CHEMBL56420

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O=C(O)CCCCNS(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56420
Phase Preclinical
Structure Type MOL
InChI Key LMOLNMFWFNINRU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.22
ALogP
3
HBA
2
HBD
83.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO4S
MW 257.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
1829486 10.1021/jm00110a020 Rattus norvegicus 2
1829486 10.1021/jm00110a020 Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine