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Compound Detail

CHEMBL224421

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O=C([C@@H]1C[C@H](NS(=O)(=O)c2ccccc2)CN1)N1CCSC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224421
Phase Preclinical
Structure Type MOL
InChI Key MLHDYUANEWSPMX-AAEUAGOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.5
MW (Da)
0.23
ALogP
5
HBA
2
HBD
78.5
PSA (Ų)
0.82
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 C14H19N3O3S2
MW 341.46
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
17113301 10.1016/j.bmc.2006.10.059 Dipeptidyl peptidase 4 2

Data from ChEMBL 36 via Core Engine