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Compound Detail

CHEMBL1818667

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N[C@@H](CCSC[C@H]1NC[C@H](O)[C@@H]1O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818667
Phase Preclinical
Structure Type MOL
InChI Key ZTSGMQJRDTVNHT-FKSUSPILSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
-1.78
ALogP
6
HBA
5
HBD
115.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18N2O4S
MW 250.32
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
21855358 10.1016/j.bmc.2011.07.043 S-ribosylhomocysteine lyase 2

Data from ChEMBL 36 via Core Engine