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Compound Detail

CHEMBL5942977

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CNc1nccc(-c2cccc3c2CCN3C(=O)[C@@H]2CCCN2C#N)n1

Basic Information

ChEMBL ID CHEMBL5942977
Phase Preclinical
Structure Type MOL
InChI Key QXXVNRVLJDODMU-KRWDZBQOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.02
ALogP
6
HBA
1
HBD
85.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N6O
MW 348.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.96

Activity Summary

IC50 2 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 6.26 6.26 550.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine