levocabastine   Click here for help

GtoPdb Ligand ID: 1586

Synonyms: levocobastine | Livostin®
Approved drug
levocabastine is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: In addition to acting at the histamine H1 receptor, levocabastine is also a selective antagonist for the neurotensin receptor NTS2, and has been used to characterise the different receptor subtypes [5,5]. This ligand is represented on PubChem by CID 54385.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 64.33
Molecular weight 420.22
XLogP 5.03
No. Lipinski's rules broken 1
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Canonical SMILES N#CC1(CCC(CC1)N1CCC(C(C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F
Isomeric SMILES N#C[C@@]1(CC[C@@H](CC1)N1CC[C@]([C@@H](C1)C)(C(=O)O)c1ccccc1)c1ccc(cc1)F
InChI InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23-,25-,26-/m1/s1
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Molecular structure representations generated using Open Babel