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Compound Detail

CHEMBL140149

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NC(CS)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140149
Phase Preclinical
Structure Type MOL
InChI Key AOIHJKREJFPKDL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
0.11
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.50
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 C5H11NO2S
MW 149.22
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.73

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
14561084 10.1021/jm0300680 Unchecked 1

Data from ChEMBL 36 via Core Engine