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Compound Detail

CHEMBL39753

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CSCCC(N)[PH](=O)O

Basic Information

ChEMBL ID CHEMBL39753
Phase Preclinical
Structure Type MOL
InChI Key CZRBNMUARBZMHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

169.2
MW (Da)
0.49
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C4H12NO2PS
MW 169.19
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -0.35

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
Ki 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 400.0 nM 6.4 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