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Compound Detail

CHEMBL406959

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C=CC(O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL406959
Phase Preclinical
Structure Type MOL
InChI Key KBOCSKAFLHCJRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

140.2
MW (Da)
1.97
ALogP
2
HBA
1
HBD
20.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H8OS
MW 140.21
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
17545669 10.1074/jbc.m701857200 Sortase A 1

Data from ChEMBL 36 via Core Engine