compound 3a [PMID: 18606542]

Ligand id: 9872

Name: compound 3a [PMID: 18606542]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 32.78
Molecular weight 366.23
XLogP 4.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Comments
Compound 3a is an inverse agonist (as determined by functional GTPγS assay) of the histamine H3 receptor [1].
Database Links
BindingDB Ligand 50263054
ChEMBL Ligand CHEMBL476099
GtoPdb PubChem SID 363894166
PubChem CID 11501506
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Search UniChem for chemical match using the InChIKey KBLLVDUPDMDMON-UHFFFAOYSA-N
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