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Compound Detail

CHEMBL5955554

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CCOc1cccc2c1CCN2C(=O)[C@@H]1CCCN1C#N

Basic Information

ChEMBL ID CHEMBL5955554
Phase Preclinical
Structure Type MOL
InChI Key RPNXKHUIZNCHOE-AWEZNQCLSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
1.92
ALogP
4
HBA
0
HBD
56.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O2
MW 285.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase isozyme L1
CHEMBL6159
IC50 5.26 5.26 5500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine