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Compound Detail

CHEMBL471437

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F[C@H]1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)C1

Basic Information

ChEMBL ID CHEMBL471437
Phase Preclinical
Structure Type MOL
InChI Key CNANVGDNJVODAU-SFHVURJKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.49
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29FN2O
MW 320.45
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.34

Activity Summary

Ki 1 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 9.55 9.55 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19286376 10.1016/j.bmcl.2009.02.110 Histamine H3 receptor 1
19286376 10.1016/j.bmcl.2009.02.110 Mus musculus 1

Data from ChEMBL 36 via Core Engine