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Compound Detail

CHEMBL112431

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Oc1nc2cc(F)c(F)cc2n2cnnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112431
Phase Preclinical
Structure Type MOL
InChI Key NUDJHGKKHGNTPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

222.2
MW (Da)
1.26
ALogP
5
HBA
1
HBD
63.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H4F2N4O
MW 222.15
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, AMPA 1
1382133 10.1021/jm00096a002 Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine