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Compound Detail

CHEMBL4089287

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O=C(O)Cc1ccccc1S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4089287
Phase Preclinical
Structure Type MOL
InChI Key QUCMZSJETXEAMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
1.60
ALogP
2
HBA
2
HBD
37.3
PSA (Ų)
0.66
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 C8H8O2S
MW 168.22
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
29271657 10.1021/acs.jmedchem.7b01728 Unchecked 1

Data from ChEMBL 36 via Core Engine