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Compound Detail

CHEMBL264817

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FC(F)(F)c1ccc(OCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL264817
Phase Preclinical
Structure Type MOL
InChI Key OGGLOOJVGQHACX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
3.05
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11F3N2O
MW 256.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine