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Compound Detail

CHEMBL5882142

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COc1cc(CO)c(-c2cn3ccc(N4CCN(CCN5CCOCC5)CC4)cc3n2)cc1Br

Basic Information

ChEMBL ID CHEMBL5882142
Phase Preclinical
Structure Type MOL
InChI Key HXOWKKPHAMFVLC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

530.5
MW (Da)
2.72
ALogP
8
HBA
1
HBD
65.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32BrN5O3
MW 530.47
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 8.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-lysine N-methyltransferase SUV39H2
CHEMBL1795177
IC50 8.46 8.46 3.5 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine