Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL374338

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374338
Phase Preclinical
Structure Type MOL
InChI Key BEAYNHUNFJQNTI-SSZFMOIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
3.74
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O2
MW 292.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.13

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