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Compound Detail

CHEMBL6011236

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CC(c1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cc1)N1CCCC1

Basic Information

ChEMBL ID CHEMBL6011236
Phase Preclinical
Structure Type MOL
InChI Key AZNMMGCWXFGEFI-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.5
MW (Da)
4.63
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27FN6O
MW 458.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.34

Activity Summary

IC50 6 meas. best 8.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.32 7.6233 4.8 3
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.32 7.6233 4.8 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine