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Compound Detail

CHEMBL5981172

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CN1CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)=CC1=O

Basic Information

ChEMBL ID CHEMBL5981172
Phase Preclinical
Structure Type MOL
InChI Key KIRCKTNYAUIENF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
2.06
ALogP
7
HBA
1
HBD
84.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN6O2
MW 394.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 8.41

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 8.41 8.41 3.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine