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Compound Detail

CHEMBL5884653

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CC(C)C[C@@H](/C=C/C(=O)N1CCc2ccccc21)NC(=O)[C@@H]1CNCCCO1

Basic Information

ChEMBL ID CHEMBL5884653
Phase Preclinical
Structure Type MOL
InChI Key PXFMGAFAIVURSO-ZZHWGSSASA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
2.04
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N3O3
MW 385.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -0.28

Activity Summary

IC50 7 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 1
CHEMBL2252
IC50 8.28 8.28 5.2 7

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine