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Compound Detail

CHEMBL5895393

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

Basic Information

ChEMBL ID CHEMBL5895393
Phase Preclinical
Structure Type MOL
InChI Key MWRIGGWWHYYWPL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.62
ALogP
7
HBA
1
HBD
67.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FN6O
MW 382.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 7.82

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 7.82 7.82 15.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine