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Compound Detail

CHEMBL4447222

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CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4447222
Phase Preclinical
Structure Type MOL
InChI Key PQBTUWGXALHNNH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
2.25
ALogP
7
HBA
0
HBD
65.1
PSA (Ų)
0.48
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 C23H24FN5O2
MW 421.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.86

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