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Compound Detail

CHEMBL4073650

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CN(C)[C@H]1CN([C@H]2CCc3ncccc32)C[C@@H]1c1cn(C)c2ccccc12

Basic Information

ChEMBL ID CHEMBL4073650
Phase Preclinical
Structure Type MOL
InChI Key VJTBVXDMUXMPEN-OIBXWCBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
3.59
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28N4
MW 360.51
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.45

Activity Summary

Ki 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
Ki 6.58 6.58 260.0 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