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Compound Detail

CHEMBL4451295

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Cc1cnc2c(N)c(C(=O)NCCc3c(F)cc(N4CC5CCC(C4)N5)cc3F)sc2n1

Basic Information

ChEMBL ID CHEMBL4451295
Phase Preclinical
Structure Type MOL
InChI Key MQLOUMARQGGGQC-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
2.77
ALogP
7
HBA
3
HBD
96.2
PSA (Ų)
0.54
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 C22H24F2N6OS
MW 458.54
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.28

Activity Summary

IC50 4 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ubiquitin carboxyl-terminal hydrolase 28
CHEMBL2157853
IC50 6.7 6.33 200.0 2
Ubiquitin carboxyl-terminal hydrolase 25
CHEMBL4295975
IC50 6.7 6.33 200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine