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Compound Detail

CHEMBL5176450

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N#Cc1ccc(N2CC(CN3CCC(Nc4ncnc5ccc(Br)cc45)CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5176450
Phase Preclinical
Structure Type MOL
InChI Key DRFHMQDJGDMVHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
4.28
ALogP
6
HBA
1
HBD
68.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25BrN6
MW 477.41
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
36173787 10.1021/acs.jmedchem.2c01313 Menin/Histone-lysine N-methyltransferase MLL 1
36173787 10.1021/acs.jmedchem.2c01313 MV4-11 1
36173787 10.1021/acs.jmedchem.2c01313 HL-60 1

Data from ChEMBL 36 via Core Engine