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Compound Detail

CHEMBL340298

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CCc1ccc(OCCc2c[nH]cn2)cc1

Basic Information

ChEMBL ID CHEMBL340298
Phase Preclinical
Structure Type MOL
InChI Key FWIRIRPBCDTRAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

216.3
MW (Da)
2.59
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.83
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 C13H16N2O
MW 216.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.69

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.1 7.1 80.0 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