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Compound Detail

CHEMBL5977008

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Cc1nn(C[C@@H](C)O)c(C)c1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12

Basic Information

ChEMBL ID CHEMBL5977008
Phase Preclinical
Structure Type MOL
InChI Key PZMYACQKVABGEK-GFCCVEGCSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.67
ALogP
9
HBA
2
HBD
102.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24FN7O2
MW 437.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

IC50 6 meas. best 8.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.46 8.2833 3.5 3
EZH2/SUZ12/EED complex
CHEMBL3137286
IC50 8.46 8.2833 3.5 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine