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Compound Detail

CHEMBL4086916

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CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1C1CC1

Basic Information

ChEMBL ID CHEMBL4086916
Phase Preclinical
Structure Type MOL
InChI Key SPISXQLWDSIXOK-WBMJQRKESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
3.36
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.83
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 C16H22BrFN2
MW 341.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.79

Activity Summary

Ki 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
Ki 7.15 7.15 71.0 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