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Compound Detail

CHEMBL34963

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N[C@H](CS)CCc1ccccc1

Basic Information

ChEMBL ID CHEMBL34963
Phase Preclinical
Structure Type MOL
InChI Key OMEJZTIVCZZOPI-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

181.3
MW (Da)
1.88
ALogP
2
HBA
2
HBD
26.0
PSA (Ų)
0.68
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 C10H15NS
MW 181.30
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness 0.10

Activity Summary

Ki 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
Ki 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 27.0 nM 7.57 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