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Compound Detail

CHEMBL36661

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CSCC[C@H](N)CS

Basic Information

ChEMBL ID CHEMBL36661
Phase Preclinical
Structure Type MOL
InChI Key NSPBTQHSHXESOT-YFKPBYRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

151.3
MW (Da)
1.00
ALogP
3
HBA
2
HBD
26.0
PSA (Ų)
0.59
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 C5H13NS2
MW 151.30
Aromatic Rings 0
Heavy Atoms 8
NP-Likeness -0.46

Activity Summary

Ki 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
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 N Ki = 11.0 nM 7.96 Inhibition of pig kidney Aminopeptidase N 10386926

Literature References

PubMed DOI Target Context # Activities
10386926 10.1016/s0960-894x(99)00236-x Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine