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Compound Detail

CHEMBL4566674

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Cc1cnc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)cc3F)sc2n1.Cl

Basic Information

ChEMBL ID CHEMBL4566674
Phase Preclinical
Structure Type MOL
InChI Key GJWKEGLNAJZVPI-UHFFFAOYSA-N
Parent Compound CHEMBL4159041
Active Moiety CHEMBL4159041
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
2.24
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23ClF2N6OS
MW 468.96
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.68

Activity Summary

IC50 2 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 28
CHEMBL2157853
IC50 5.7 5.7 2000.0 1
Ubiquitin carboxyl-terminal hydrolase 25
CHEMBL4295975
IC50 5.7 5.7 2000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine