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Compound Detail

CHEMBL5838292

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N#Cc1ccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CNCCCO3)cc2)cn1

Basic Information

ChEMBL ID CHEMBL5838292
Phase Preclinical
Structure Type MOL
InChI Key UZXVZQQAOVNOKG-PMACEKPBSA-N
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
1.55
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N5O2
MW 375.43
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.72

Activity Summary

IC50 7 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 1
CHEMBL2252
IC50 7.06 7.06 87.1 7

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine