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Compound Detail

CHEMBL5204697

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

Basic Information

ChEMBL ID CHEMBL5204697
Phase Preclinical
Structure Type MOL
InChI Key GWWSDNTYMAZZOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

237.2
MW (Da)
-0.14
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15NO4
MW 237.25
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
34656041 10.1016/j.ejmech.2021.113880 N-lysine methyltransferase SMYD2 1

Data from ChEMBL 36 via Core Engine