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Compound Detail

CHEMBL5189975

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CC(C)N1C(=O)C(Cc2ccc([N+](=O)[O-])cc2)COC12C=CC(=O)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189975
Phase Preclinical
Structure Type MOL
InChI Key CXTSMFWWCRKUSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
2.41
ALogP
5
HBA
0
HBD
89.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O5
MW 356.38
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.05

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