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Compound Detail

CHEMBL256648

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C1=C(c2ccc(CCN3CCC3)cc2)C2CN(Cc3ccccc3)CC2C1

Basic Information

ChEMBL ID CHEMBL256648
Phase Preclinical
Structure Type MOL
InChI Key IZMCDSYPUGPXLN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
4.47
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N2
MW 358.53
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.37

Activity Summary

Ki 2 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 8.62 8.62 2.4 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18194865 10.1016/j.bmcl.2007.12.059 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine