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Compound Detail

CHEMBL5921456

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O=S1(=O)CCC(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1

Basic Information

ChEMBL ID CHEMBL5921456
Phase Preclinical
Structure Type MOL
InChI Key JFNNNNPSWRAASJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
2.10
ALogP
8
HBA
1
HBD
98.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20FN5O3S
MW 417.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 8.49

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 8.49 8.49 3.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine