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Compound Detail

CHEMBL5835604

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Fc1ccc2c(c1CNc1ncc(C3=CCOCC3)c3nncn13)CCO2

Basic Information

ChEMBL ID CHEMBL5835604
Phase Preclinical
Structure Type MOL
InChI Key PPONVVPFTUWVON-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
2.61
ALogP
7
HBA
1
HBD
73.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18FN5O2
MW 367.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 7.75

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 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine