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Compound Detail

CHEMBL4483620

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C[C@H](NC(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4483620
Phase Preclinical
Structure Type MOL
InChI Key FWSIULONSQBZEO-ZFWWWQNUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
1.59
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N2O4
MW 332.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL2461
 IC50 4.76 4.76 17540.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase IC50 = 17540.0 nM 4.76 Inhibition of recombinant porcine brain PREP expressed in Escherichia coli asses... 31857839

Literature References

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

Data from ChEMBL 36 via Core Engine