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Compound Detail

CHEMBL5283723

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N#Cc1c2c(c3cccn3c1NCc1ccco1)CN(Cc1ccccc1)CC2

Basic Information

ChEMBL ID CHEMBL5283723
Phase Preclinical
Structure Type MOL
InChI Key UNQGINDEMSQFID-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.57
ALogP
5
HBA
1
HBD
56.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O
MW 382.47
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.63

Activity Summary

IC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polycomb protein EED
CHEMBL2189117
IC50 6.5 6.5 320.0 1
Unchecked
CHEMBL612545
IC50 5.39 5.39 4030.0 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 Unchecked 1

Data from ChEMBL 36 via Core Engine