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Compound Detail

CHEMBL5933888

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Cc1cc(C(=O)N2CCCC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12

Basic Information

ChEMBL ID CHEMBL5933888
Phase Preclinical
Structure Type MOL
InChI Key WZZICXXQMQLPFR-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
3.42
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24FN7O2
MW 473.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.35

Activity Summary

IC50 6 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.89 8.35 1.3 3
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.89 8.35 1.3 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine