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Compound Detail

CHEMBL5206649

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CC(C)N1C(=O)C(Cc2ccc(C(F)(F)F)cc2)COC12C=CC(=O)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5206649
Phase Preclinical
Structure Type MOL
InChI Key WZUYDDWRTYYYCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.52
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F3NO3
MW 379.38
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 0.08

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