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Compound Detail

CHEMBL5952827

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Cc1ncn(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)n1

Basic Information

ChEMBL ID CHEMBL5952827
Phase Preclinical
Structure Type MOL
InChI Key OSZBNUACSVDTOS-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.70
ALogP
9
HBA
1
HBD
95.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15FN8O
MW 366.36
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.52

Activity Summary

IC50 6 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.33 7.9733 4.7 3
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.33 7.9733 4.7 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine