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Compound Detail

CHEMBL4086565

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CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CCCCC1

Basic Information

ChEMBL ID CHEMBL4086565
Phase Preclinical
Structure Type MOL
InChI Key ALRPOEGWCSXABV-BEFAXECRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.53
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H28BrFN2
MW 383.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.71

Activity Summary

Ki 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
Ki 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
28254486 10.1016/j.bmcl.2017.02.030 Polycomb protein EED 1

Data from ChEMBL 36 via Core Engine