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Compound Detail

CHEMBL356207

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NCCC(N)C(=O)N1CCSC1

Basic Information

ChEMBL ID CHEMBL356207
Phase Preclinical
Structure Type MOL
InChI Key APYOOIUFSQLAQV-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

189.3
MW (Da)
-0.80
ALogP
4
HBA
2
HBD
72.3
PSA (Ų)
0.61
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 C7H15N3OS
MW 189.28
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.44

Activity Summary

IC50 2 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 2
CHEMBL3976
IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 2 IC50 = 140.0 nM 6.85 Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) 14584950

Literature References

PubMed DOI Target Context # Activities
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
14584950 10.1021/jm0308803 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine