PF-03654746   Click here for help

GtoPdb Ligand ID: 9058

Synonyms: compound 6 [PMID: 21928839] | PF 03654746 | PF03654746
Compound class: Synthetic organic
Comment: PF-03654746 is a potent and selective, investigational histamine H3 receptor antagonist [2], with potetial as an antiinflammatory agent [1] and with potential to treat human cognitive disorders.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 322.19
XLogP 2.54
No. Lipinski's rules broken 0
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Canonical SMILES CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1
Isomeric SMILES CCNC(=O)C1CC(C1)(F)c1ccc(c(c1)F)CN1CCCC1
InChI InChI=1S/C18H24F2N2O/c1-2-21-17(23)14-10-18(20,11-14)15-6-5-13(16(19)9-15)12-22-7-3-4-8-22/h5-6,9,14H,2-4,7-8,10-12H2,1H3,(H,21,23)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
compound 6 [PMID: 21928839] | PF 03654746 | PF03654746
Database Links Click here for help
Specialist databases
GPCRdb Ligand PF-03654746
Other databases
BindingDB Ligand 50401003
CAS Registry No. 935840-31-6 (source: PubChem)
ChEMBL Ligand CHEMBL2151197
GtoPdb PubChem SID 315661143
PubChem CID 16119086
Search Google for chemical match using the InChIKey SXMBKHYDZOCBMT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SXMBKHYDZOCBMT
UniChem Compound Search for chemical match using the InChIKey SXMBKHYDZOCBMT-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey SXMBKHYDZOCBMT-UHFFFAOYSA-N
Wikipedia PF-03654746