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Compound Detail

CHEMBL5804445

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N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CNCCCO3)cc2)s1

Basic Information

ChEMBL ID CHEMBL5804445
Phase Preclinical
Structure Type MOL
InChI Key AYKAKRZDQIFHMD-WMZOPIPTSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.22
ALogP
6
HBA
2
HBD
97.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2S
MW 380.47
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.49

Activity Summary

IC50 7 meas. best 7.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 1
CHEMBL2252
IC50 7.71 7.71 19.5 7

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine