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Compound Detail

CHEMBL28124

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

Basic Information

ChEMBL ID CHEMBL28124
Phase Preclinical
Structure Type MOL
InChI Key AOIHJKREJFPKDL-BYPYZUCNSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

149.2
MW (Da)
0.11
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.50
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 C5H11NO2S
MW 149.21
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.73

Activity Summary

Ki 5 meas. best 6.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
Ki 6.92 6.92 120.0 1
Aminopeptidase N
CHEMBL2590
Ki 6.92 6.92 120.0 2
Glutamyl aminopeptidase
CHEMBL3439
Ki 6.85 6.85 140.0 2

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
7909847 10.1021/jm00035a014 Glutamyl aminopeptidase 1
7909847 10.1021/jm00035a014 Aminopeptidase N 1
9719598 10.1021/jm981015z Tetanus toxin 1
29630364 10.1021/acs.jmedchem.7b00782 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine