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Compound Detail

CHEMBL419969

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N[C@@H](CCC(=O)N[C@@H](CSC(=O)NO)C(=O)NCC(=O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419969
Phase Preclinical
Structure Type MOL
InChI Key NGLIRLVZDIZCEF-WDSKDSINSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
-2.30
ALogP
8
HBA
7
HBD
208.2
PSA (Ų)
0.16
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18N4O8S
MW 366.35
Aromatic Rings 0
Heavy Atoms 24
NP-Likeness 0.42

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11052803 10.1021/jm000160l Lactoylglutathione lyase 1

Data from ChEMBL 36 via Core Engine