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Compound Detail

CHEMBL6004041

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N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3n[nH]c4ncccc34)cccc21

Basic Information

ChEMBL ID CHEMBL6004041
Phase Preclinical
Structure Type MOL
InChI Key ITVHSCOFHWBGHL-KRWDZBQOSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.46
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O
MW 358.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.05

Activity Summary

IC50 4 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
Ubiquitin carboxyl-terminal hydrolase 30
CHEMBL4523357
IC50 5.26 5.26 5500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine