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Compound Detail

CHEMBL103952

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CC(C[C@H](N)CS)C(=O)O

Basic Information

ChEMBL ID CHEMBL103952
Phase Preclinical
Structure Type MOL
InChI Key IKZNLXWHQKRPMU-AKGZTFGVSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
0.35
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H13NO2S
MW 163.24
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.92

Activity Summary

Ki 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamyl aminopeptidase
CHEMBL3439
Ki 6.06 6.06 870.0 1
Aminopeptidase N
CHEMBL2590
Ki 5.4 5.4 4000.0 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