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Compound Detail

CHEMBL4470147

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C[C@@H](C(=O)N1CCC[C@H]1C#N)N(C)C(=O)CCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL4470147
Phase Preclinical
Structure Type MOL
InChI Key GDNPDHOSCKVMAB-RDJZCZTQSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
2.37
ALogP
3
HBA
0
HBD
64.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N3O2
MW 327.43
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL2461
IC50 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31857839 10.1021/acsmedchemlett.9b00394 Prolyl endopeptidase 2

Data from ChEMBL 36 via Core Engine