mizolastine   Click here for help

GtoPdb Ligand ID: 10102

Synonyms: Mizollen® | MKC-431 | MKC431 | SL 85.0324 [1] | SL-850324 | SL850324
Approved drug Immunopharmacology Ligand
mizolastine is an approved drug (UK (2003))
Compound class: Synthetic organic
Comment: Mizolastine is a highly selective, long-acting second generation histamine H1 receptor antagonist [1] that is used clinically as an antiallergy medication. It does not cross the blood-brain barrier and does not bind the muscarinic cholinergic M1 receptor [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.05
Molecular weight 432.21
XLogP 5.36
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C
Isomeric SMILES Fc1ccc(cc1)Cn1c(nc2c1cccc2)N1CCC(CC1)N(c1nccc(=O)[nH]1)C
InChI InChI=1S/C24H25FN6O/c1-29(23-26-13-10-22(32)28-23)19-11-14-30(15-12-19)24-27-20-4-2-3-5-21(20)31(24)16-17-6-8-18(25)9-7-17/h2-10,13,19H,11-12,14-16H2,1H3,(H,26,28,32)
InChI Key PVLJETXTTWAYEW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (UK (2003))
International Nonproprietary Names Click here for help
INN number INN
6663 mizolastine
Synonyms Click here for help
Mizollen® | MKC-431 | MKC431 | SL 85.0324 [1] | SL-850324 | SL850324
Database Links Click here for help
BindingDB Ligand 22877
CAS Registry No. 108612-45-9 (source: WHO INN record)
ChEMBL Ligand CHEMBL94454
DrugCentral Ligand 1824
GtoPdb PubChem SID 381118812
PubChem CID 65906
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