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Compound Detail

CHEMBL5747283

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COc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)cn1

Basic Information

ChEMBL ID CHEMBL5747283
Phase Preclinical
Structure Type MOL
InChI Key FUNZVDGKJVAOOJ-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.88
ALogP
8
HBA
1
HBD
86.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FN6O2
MW 392.39
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.54

Activity Summary

IC50 6 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.62 8.4267 2.4 3
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.62 8.4267 2.4 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine