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Compound Detail

CHEMBL5182950

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CN1C(=O)C(CCNc2cnc3ccccc3c2)COC12C=CC(=O)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5182950
Phase Preclinical
Structure Type MOL
InChI Key OGWICWQGZKEHHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.53
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O3
MW 363.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
34656041 10.1016/j.ejmech.2021.113880 N-lysine methyltransferase SMYD2 2

Data from ChEMBL 36 via Core Engine