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Compound Detail

CHEMBL2047402

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O=c1[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc2c(=O)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2047402
Phase Preclinical
Structure Type MOL
InChI Key RIKULBRTRVDGLK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.2
MW (Da)
1.74
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.67
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 C13H8F3N3O3
MW 311.22
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.92

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
22704999 10.1016/j.ejmech.2012.05.036 Unchecked 2
22704999 10.1016/j.ejmech.2012.05.036 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine