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Compound Detail

CHEMBL103396

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NC(CS)CC(C(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL103396
Phase Preclinical
Structure Type MOL
InChI Key OJYUNKKSBJSEAT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-0.58
ALogP
4
HBA
4
HBD
100.6
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO4S
MW 193.22
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness 0.49

Activity Summary

Ki 2 meas. best 5.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamyl aminopeptidase
CHEMBL3439
Ki 5.46 5.46 3500.0 1
Aminopeptidase N
CHEMBL2590
Ki 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7915326 10.1021/jm00044a016 Glutamyl aminopeptidase 1
7915326 10.1021/jm00044a016 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine