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Compound Detail

CHEMBL1873552

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COc1cc2nc(N3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1873552
Phase Preclinical
Structure Type MOL
InChI Key VNFLAUPKYSXJGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
3.56
ALogP
8
HBA
1
HBD
72.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33N5O3
MW 463.58
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
39230932 10.1021/acs.jmedchem.4c00639 Histone-lysine N-methyltransferase EHMT2 2
39230932 10.1021/acs.jmedchem.4c00639 Histone-lysine N-methyltransferase NSD2 1

Data from ChEMBL 36 via Core Engine