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Compound Detail

CHEMBL64753

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Cc1ncoc1-c1ccc(NC(=O)/C=C/c2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64753
Phase Preclinical
Structure Type MOL
InChI Key JQNQXKBUWFQEFG-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
3.89
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14N2O3
MW 294.31
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
12781195 10.1016/s0960-894x(03)00258-0 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine