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Compound Detail

CHEMBL387054

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CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1

Basic Information

ChEMBL ID CHEMBL387054
Phase Preclinical
Structure Type MOL
InChI Key NBMDNUKKIXJADO-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.8
MW (Da)
3.91
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17ClFN3O
MW 345.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.97

Activity Summary

EC50 1 meas. best 7.41
Ki 1 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
EC50 7.41 7.41 38.9 1
Histamine H4 receptor
CHEMBL3759
Ki 7.41 7.41 38.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16854056 10.1021/jm051008s Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine