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Compound Detail

CHEMBL5194131

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C=CCC1COC2(C=CC(=O)C=C2)N(C(C)C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194131
Phase Preclinical
Structure Type MOL
InChI Key LZDUIOMONHPZCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

261.3
MW (Da)
1.84
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO3
MW 261.32
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.83

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