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The Drug-Drug Interactions Ontology
| Preferred Name | astemizole | |
| Synonyms |
astemizole 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-1,3-benzodiazol-2-amine C28H31FN4O astemizol 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole astemizolum 1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine Astemison |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_2896 |
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| ATCCode |
R06AX11
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|
| binds |
http://purl.obolibrary.org/obo/dinto_3187 http://purl.obolibrary.org/obo/dinto_0901 http://purl.obolibrary.org/obo/dinto_1440 http://purl.obolibrary.org/obo/dinto_1071 http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 |
|
| blocks | ||
| CASRN |
68844-77-9
|
|
| DBBrand |
metodik histazol laridal kelp retolen waruzol hismanal astemisol astemisan nono-nastizol a astemison histaminos alermizol paralergin histamen
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|
| DBname |
astemizole
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|
| Definition |
A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.
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|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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|
| InChIKey |
InChIKey=GXDALQBWZGODGZ-UHFFFAOYSA-N
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|
| inhibits |
http://purl.obolibrary.org/obo/dinto_3187 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_1847 |
|
| is substrate of |
http://purl.obolibrary.org/obo/dinto_2990 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_1847 |
|
| label |
astemizole
|
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_119486 http://purl.obolibrary.org/obo/CHEBI_119573 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_499361 http://purl.obolibrary.org/obo/CHEBI_40050 http://purl.obolibrary.org/obo/CHEBI_3699 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/CHEBI_6780 http://purl.obolibrary.org/obo/CHEBI_9566 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/dinto_DB01361 http://purl.obolibrary.org/obo/dinto_DB00365 http://purl.obolibrary.org/obo/CHEBI_5138 http://purl.obolibrary.org/obo/CHEBI_3720 http://purl.obolibrary.org/obo/dinto_DB01388 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_64355 http://purl.obolibrary.org/obo/CHEBI_63628 http://purl.obolibrary.org/obo/dinto_DB00199 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/dinto_DB01319 http://purl.obolibrary.org/obo/dinto_DB01369 http://purl.obolibrary.org/obo/CHEBI_31739 http://purl.obolibrary.org/obo/CHEBI_3061 http://purl.obolibrary.org/obo/CHEBI_15854 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_71226 http://purl.obolibrary.org/obo/dinto_DB00220 http://purl.obolibrary.org/obo/dinto_DB01208 |
|
| modulates | ||
| prefixIRI |
obo2:CHEBI_2896
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|
| prefLabel |
astemizole
|
|
| SMILES |
COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(F)C=C2)C=C1 COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
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|
| Synonym |
astemizole 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-1,3-benzodiazol-2-amine C28H31FN4O astemizol 1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole astemizolum 1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine Astemison
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|
| xref |
BindingDB:24226 KEGG DRUG:D00234 Drugs.com:http://www.drugs.com/mtm/astemizole.html DrugBank:DB00637 PubChem Compound:2247 Wikipedia:http://en.wikipedia.org/wiki/Astemizole PubChem Substance:46508569 Beilstein:4830190 ChemSpider:2160 ChEMBL:165605 KEGG COMPOUND:C06832 Drugs Product Database (DPD):2182912 IUPHAR:2603 ChEBI:2896 DrugBank:68844-77-9 Guide To Pharmacology:2603 Patent:EP5318 RxList:http://www.rxlist.com/cgi/generic/astem.htm PharmGKB:PA448498 Patent:US4219559 CASRN:68844-77-9
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| subClassOf |
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