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Compound Detail

CHEMBL6036766

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Cc1cnccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12

Basic Information

ChEMBL ID CHEMBL6036766
Phase Preclinical
Structure Type MOL
InChI Key KRWFLWWFUAILDB-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
3.18
ALogP
7
HBA
1
HBD
77.2
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 C20H17FN6O
MW 376.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.25

Activity Summary

IC50 4 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.39 8.175 4.1 2
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.39 8.175 4.1 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine