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Compound Detail

CHEMBL34907

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N[C@H](CS)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL34907
Phase Preclinical
Structure Type MOL
InChI Key BUAPSNKVPWEGPA-VIFPVBQESA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

167.3
MW (Da)
1.49
ALogP
2
HBA
2
HBD
26.0
PSA (Ų)
0.66
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 C9H13NS
MW 167.28
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.02

Activity Summary

IC50 1 meas. best 7.41
Ki 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL2590
Ki 7.52 7.52 30.0 1
Unchecked
CHEMBL612545
IC50 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
3184127 10.1021/jm00119a023 Unchecked 1
10386926 10.1016/s0960-894x(99)00236-x Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine