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Compound Detail

CHEMBL4520086

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Cc1ccc2c(c1)-c1onc(C(=O)N(C)c3ccccc3)c1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4520086
Phase Preclinical
Structure Type MOL
InChI Key WXHLSMZGGASGQO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.82
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O3
MW 320.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
30769241 10.1016/j.ejmech.2019.01.064 Inosine-5'-monophosphate dehydrogenase 3

Data from ChEMBL 36 via Core Engine