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Compound Detail

CHEMBL37279

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Basic Information

ChEMBL ID CHEMBL37279
Phase Preclinical
Structure Type MOL
InChI Key DJJIBYYAHJOUMY-VKHMYHEASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

91.2
MW (Da)
0.26
ALogP
2
HBA
2
HBD
26.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C3H9NS
MW 91.18
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness 0.17

Activity Summary

Ki 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
Ki 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 28.0 nM 7.55 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