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Compound Detail

CHEMBL5202282

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N#Cc1ccc(N2CC(CN3CCC(Nc4ncnc5ccc(NCCO)nc45)CC3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5202282
Phase Preclinical
Structure Type MOL
InChI Key PYSVJGZFGQLYIJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
2.31
ALogP
9
HBA
3
HBD
113.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N8O
MW 458.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.64

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