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Compound Detail

CHEMBL27163

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CSCCC(S)C(=O)O

Basic Information

ChEMBL ID CHEMBL27163
Phase Preclinical
Structure Type MOL
InChI Key JQFCHNQFJRJNTL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

166.3
MW (Da)
1.12
ALogP
3
HBA
2
HBD
37.3
PSA (Ų)
0.61
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 C5H10O2S2
MW 166.27
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -0.42

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase B
CHEMBL2432
Ki 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase B Ki = 11.0 nM 7.96 Inhibition of arginylaminopeptidase (aminopeptidase B) 7909847

Literature References

PubMed DOI Target Context # Activities
7909847 10.1021/jm00035a014 Aminopeptidase B 1

Data from ChEMBL 36 via Core Engine