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Compound Detail

CHEMBL5873219

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CN(C)CC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5873219
Phase Preclinical
Structure Type MOL
InChI Key GDFWTTPBIQSHHT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
1.99
ALogP
8
HBA
1
HBD
87.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26FN7O2
MW 451.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 8.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12
CHEMBL6066587
 IC50 8.39 8.345 4.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 IC50 = 4.1 nM 8.39 TR-FRET Assay: The TR-FRET method was used to measure the PRC2 enzyme activity. ... -
Histone-binding protein RBBP4/Histone-lysine N-methyltransferase EZH2/Polycomb protein EED/Polycomb protein SUZ12 IC50 = 5.0 nM 8.3 TR-FRET Assay: The TR-FRET method was used to measure the PRC2 enzyme activity. ... -

Data from ChEMBL 36 via Core Engine