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Compound Detail

CHEMBL337314

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CCc1c[nH]c([C@@H]2Cc3ccccc3N2C(=O)[C@H](C)N)n1

Basic Information

ChEMBL ID CHEMBL337314
Phase Preclinical
Structure Type MOL
InChI Key OGQVGBMVSGUADF-HZMBPMFUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.4
MW (Da)
1.95
ALogP
3
HBA
2
HBD
75.0
PSA (Ų)
0.90
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 C16H20N4O
MW 284.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.78

Activity Summary

IC50 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tripeptidyl-peptidase 2
CHEMBL4675
IC50 7.64 7.64 23.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12431057 10.1021/jm0202831 Tripeptidyl-peptidase 2 1
14643348 10.1016/j.bmcl.2003.09.014 Tripeptidyl-peptidase 2 1

Data from ChEMBL 36 via Core Engine