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Compound Detail

CHEMBL4434987

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COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cc(C)ccc3C)c2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434987
Phase Preclinical
Structure Type MOL
InChI Key GTHAJDFDPOMDOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
2.40
ALogP
5
HBA
2
HBD
93.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N3O4
MW 365.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

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