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Compound Detail

CHEMBL5289466

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CCCC[S@@](=N)(=O)CC[C@@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289466
Phase Preclinical
Structure Type MOL
InChI Key KJQFBVYMGADDTQ-NXSYQRQQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
0.64
ALogP
4
HBA
3
HBD
104.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H18N2O3S
MW 222.31
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
36332549 10.1016/j.ejmech.2022.114861 Unchecked 1

Data from ChEMBL 36 via Core Engine