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Compound Detail

CHEMBL4462217

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COc1cccc(CNC(=O)Cn2ncc3ccccc32)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462217
Phase Preclinical
Structure Type MOL
InChI Key VBNQPMBHBDITMF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.37
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O3
MW 325.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.69

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