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Compound Detail

CHEMBL320970

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FC(F)(F)c1ccc(OCCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL320970
Phase Preclinical
Structure Type MOL
InChI Key ZAGFXUMBSUVWFZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
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 -0.93

Activity Summary

Ki 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.85 7.85 14.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15163206 10.1021/jm031141p Histamine H3 receptor 2
15163206 10.1021/jm031141p Mus musculus 2
8809168 10.1021/jm960138l Histamine H3 receptor 1
8809168 10.1021/jm960138l Mus musculus 1

Data from ChEMBL 36 via Core Engine