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
SMILES / InChI / InChIKey
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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
InChI Key ZCGOMHNNNFPNMX-KYTRFIICSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1993))
International Nonproprietary Names Click here for help
INN number INN
5393 levocabastine
Synonyms Click here for help
levocobastine | Livostin®
Database Links Click here for help
CAS Registry No. 79516-68-0 (source: Scifinder)
ChEMBL Ligand CHEMBL1615438
DrugBank Ligand DB01106
DrugCentral Ligand 1564
GtoPdb PubChem SID 135650515
PubChem CID 54385
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Search UniChem for chemical match using the InChIKey ZCGOMHNNNFPNMX-KYTRFIICSA-N
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Wikipedia Levocabastine