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Compound Detail

CHEMBL22222

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O=C(O)c1cc(O)c2c(C(F)(F)F)cc(C(F)(F)F)cc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL22222
Phase Preclinical
Structure Type MOL
InChI Key NYVHTLNAIJHQFD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.2
MW (Da)
3.68
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H5F6NO3
MW 325.16
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
1826744 10.1021/jm00108a002 Glutamate NMDA receptor 2

Data from ChEMBL 36 via Core Engine