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Compound Detail

CHEMBL5783045

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N#C[C@H](Cc1ccc(-c2ccc(F)c(F)c2)cc1)NC(=O)[C@@H]1CNCCCO1

Basic Information

ChEMBL ID CHEMBL5783045
Phase Preclinical
Structure Type MOL
InChI Key HSWVIXGRFREZJG-PXNSSMCTSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.56
ALogP
4
HBA
2
HBD
74.2
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 C21H21F2N3O2
MW 385.41
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.95

Activity Summary

IC50 7 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 1
CHEMBL2252
IC50 7.16 7.16 69.2 7

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine