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Compound Detail

CHEMBL6017307

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O=C(NCc1ccccc1)N1CC=C(c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)CC1

Basic Information

ChEMBL ID CHEMBL6017307
Phase Preclinical
Structure Type MOL
InChI Key OMDLUTIGPKGMQP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.6
MW (Da)
3.81
ALogP
7
HBA
2
HBD
96.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26FN7O2
MW 499.55
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 7.48

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 7.48 7.48 32.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine