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Compound Detail

CHEMBL110741

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FC(F)(F)c1ccccc1OCCCc1c[nH]cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110741
Phase Preclinical
Structure Type MOL
InChI Key UJRMPCVZUVBNJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
3.44
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13F3N2O
MW 270.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
15163206 10.1021/jm031141p Histamine H3 receptor 2
15163206 10.1021/jm031141p Mus musculus 2

Data from ChEMBL 36 via Core Engine