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Compound Detail

CHEMBL5177194

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COC(CNc1ccc2ncnc(NC3CCN(CC4CN(c5ccc(C#N)cc5)C4)CC3)c2n1)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5177194
Phase Preclinical
Structure Type MOL
InChI Key XTJHTQRSHDLLJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
2.94
ALogP
10
HBA
2
HBD
111.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N8O2
MW 502.62
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.59

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