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Compound Detail

CHEMBL5268403

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[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1cc(F)cc2c1CCO2

Basic Information

ChEMBL ID CHEMBL5268403
Phase Preclinical
Structure Type MOL
InChI Key OGOUVLSDYPCCGO-KBMKNGFXSA-N
Parent Compound CHEMBL5315138
Active Moiety CHEMBL5315138
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
2.84
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN4O2
MW 368.41
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.84

Activity Summary

IC50 1 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 8.35 8.35 4.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34351144 10.1021/acs.jmedchem.1c00226 Polycomb protein EED 1
34351144 10.1021/acs.jmedchem.1c00226 KARPAS-422 1
34351144 10.1021/acs.jmedchem.1c00226 Pfeiffer 1

Data from ChEMBL 36 via Core Engine