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Compound Detail

CHEMBL5850167

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C=CC(=O)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1

Basic Information

ChEMBL ID CHEMBL5850167
Phase Preclinical
Structure Type MOL
InChI Key SMFXHNXJTMDNIG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
2.61
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21FN6O2
MW 420.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 8.47

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 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine