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Compound Detail

CHEMBL26382

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NC(CS)c1ccc(C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL26382
Phase Preclinical
Structure Type MOL
InChI Key XMXYBQVLYKIFLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
1.31
ALogP
3
HBA
3
HBD
63.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11NO2S
MW 197.26
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.07

Activity Summary

Ki 1 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
Ki 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 25000.0 nM 4.6 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
9719598 10.1021/jm981015z Tetanus toxin 1

Data from ChEMBL 36 via Core Engine