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Compound Detail

CHEMBL5618724

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COc1cc2nc(C#N)nc(NC3CCCC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5618724
Phase Preclinical
Structure Type MOL
InChI Key QEDNFSRSVNKNEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
2.87
ALogP
6
HBA
1
HBD
80.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O2
MW 298.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.74

Literature References

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

Data from ChEMBL 36 via Core Engine