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Compound Detail

CHEMBL373493

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CCOC(=O)C(=CNc1ccc(-c2ccccc2)cc1)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373493
Phase Preclinical
Structure Type MOL
InChI Key ZJLGZBGVNFSBGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO4
MW 339.39
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
17228860 10.1021/jm060687j Dihydroorotate dehydrogenase 2
17228860 10.1021/jm060687j Dihydroorotate dehydrogenase (quinone), mitochondrial 2
17228860 10.1021/jm060687j Unchecked 1

Data from ChEMBL 36 via Core Engine