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Compound Detail

CHEMBL330552

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CSCC[C@H](NC(=O)CN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330552
Phase Preclinical
Structure Type MOL
InChI Key PFMUCCYYAAFKTH-YFKPBYRVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
-0.73
ALogP
4
HBA
3
HBD
92.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H14N2O3S
MW 206.27
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.53

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7629809 10.1021/jm00014a022 Angiotensin-converting enzyme 1
19060912 10.1038/nchembio.132 General amino-acid permease GAP1 1

Data from ChEMBL 36 via Core Engine