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Compound Detail

CHEMBL274461

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FC(F)(F)c1cccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274461
Phase Preclinical
Structure Type MOL
InChI Key BGAQQIDBIMBGGU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
4.56
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16F3N5
MW 383.38
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
2836588 10.1021/jm00401a010 Mus musculus 2
2836588 10.1021/jm00401a010 GABA-A receptor; anion channel 1
2836588 10.1021/jm00401a010 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine