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Compound Detail

CHEMBL379182

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N[C@@H](CCCCNC(=O)CCS)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379182
Phase Preclinical
Structure Type MOL
InChI Key WKUWMTCQMRMYKU-ZETCQYMHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
0.00
ALogP
4
HBA
4
HBD
92.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18N2O3S
MW 234.32
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.20

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
16686542 10.1021/jm060047g S-ribosylhomocysteine lyase 5

Data from ChEMBL 36 via Core Engine