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Compound Detail

CHEMBL1160029

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O=S(=O)(O)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160029
Phase Preclinical
Structure Type MOL
InChI Key PSZYNBSKGUBXEH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

208.2
MW (Da)
2.09
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H8O3S
MW 208.24
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.63

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
7310833 10.1021/jm00144a035 Choline O-acetyltransferase 1

Data from ChEMBL 36 via Core Engine