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Compound Detail

CHEMBL341749

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CC(C)(C)OC(=O)NCCCCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL341749
Phase Preclinical
Structure Type MOL
InChI Key GPMWAEARSGRRPQ-NRFANRHFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.6
MW (Da)
3.65
ALogP
4
HBA
1
HBD
79.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H37N3O4
MW 443.59
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prolyl endopeptidase
CHEMBL3202
 IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prolyl endopeptidase IC50 = 55.0 nM 7.26 Inhibition of Prolyl endopeptidase 10091698

Literature References

PubMed DOI Target Context # Activities
10091698 10.1016/s0960-894x(99)00003-7 Prolyl endopeptidase 3

Data from ChEMBL 36 via Core Engine