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Compound Detail

CHEMBL283227

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NC(CS)Cc1cccc(C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL283227
Phase Preclinical
Structure Type MOL
InChI Key DVXKPHBACCWBAL-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

211.3
MW (Da)
1.18
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.66
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 C10H13NO2S
MW 211.29
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.02

Activity Summary

Ki 3 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamyl aminopeptidase
CHEMBL3439
Ki 6.08 6.08 840.0 1
Aminopeptidase N
CHEMBL1907
Ki 5.42 5.42 3850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamyl aminopeptidase Ki = 840.0 nM 6.08 Inhibition of aminopeptidase A (APA) 7909847
Aminopeptidase N Ki = 3850.0 nM 5.42 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
14561084 10.1021/jm0300680 Unchecked 1

Data from ChEMBL 36 via Core Engine