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Compound Detail

CHEMBL4447536

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N#CN1CC[C@@H](NS(=O)(=O)N2CCc3cc(-c4ccccc4)ccc32)C1

Basic Information

ChEMBL ID CHEMBL4447536
Phase Preclinical
Structure Type MOL
InChI Key CQXJRHUVXHVCBE-GOSISDBHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
2.11
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2S
MW 368.46
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 30
CHEMBL4523357
IC50 9.26 8.13 0.6 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine