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Compound Detail

CHEMBL5598240

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CC(C)COc1ccc(-c2cccc(O)c2C(=O)O)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5598240
Phase Preclinical
Structure Type MOL
InChI Key VEXRCWFVTQCCOC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.66
ALogP
4
HBA
2
HBD
90.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO4
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
39108024 10.1021/acs.jmedchem.4c01480 Xanthine dehydrogenase/oxidase 1
39108024 10.1021/acs.jmedchem.4c01480 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine