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Compound Detail

CHEMBL507900

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

Basic Information

ChEMBL ID CHEMBL507900
Phase Preclinical
Structure Type MOL
InChI Key PWKSKIMOESPYIA-SCSAIBSYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
66.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C5H9NO3S
MW 163.20
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
28242549 10.1016/j.ejmech.2017.02.042 HT-22 9
33744437 10.1016/j.bmcl.2021.127958 Aldehyde dehydrogenase 1A1 1
33744437 10.1016/j.bmcl.2021.127958 Aldehyde dehydrogenase, mitochondrial 1

Data from ChEMBL 36 via Core Engine