Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL26032

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N[C@H](CCS)CCC(=O)O

Basic Information

ChEMBL ID CHEMBL26032
Phase Preclinical
Structure Type MOL
InChI Key DFPUJJXWKDCNBL-YFKPBYRVSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
0.50
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.52
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 C6H13NO2S
MW 163.24
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.97

Activity Summary

Ki 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamyl aminopeptidase
CHEMBL3439
Ki 5.7 5.7 2000.0 1
Aminopeptidase N
CHEMBL1907
Ki 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamyl aminopeptidase Ki = 2000.0 nM 5.7 Inhibition of aminopeptidase A (APA) 7909847
Aminopeptidase N Ki = 45000.0 nM 4.35 Inhibition of aminopeptidase N (APN) 7909847

Literature References

PubMed DOI Target Context # Activities
7909847 10.1021/jm00035a014 Glutamyl aminopeptidase 1
7909847 10.1021/jm00035a014 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine