The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/CHEBI_68564 http://purl.obolibrary.org/obo/CHEBI_68564
Preferred Name	icatibant acetate
Synonyms	Firazyr (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S,4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1,2,3,4-tetrahydro-3-isoquinolyl)carbonyl)-(2S,3aS,7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate C59H89N19O13S C59H90N20O12S(C2H4O2)n (2S)-2-{[(3aS,7aS)-1-({2-[(2S)-2-[(2S)-2-(2-{[(4R)-1-[(1-{2-[(2R)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-5-[(diaminomethylidene)amino]pentanoyl}pyrrolidin-2-yl)carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-(thiophen-2-yl)propanamido]-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)-octahydro-1H-indol-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid HOE 140
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	icatibant acetate
label	icatibant acetate
DBSynonym	hoe 140
ATCCode	B06AC02
Definition	An acetate salt obtained by combining icatibant with acetic acid. Used for the treatment of acute attacks of hereditary angioedema in adult patients.
DBSalt	icatibant acetate
has pharmacological target	http://purl.obolibrary.org/obo/dinto_1552
inhibits	http://purl.obolibrary.org/obo/dinto_0822
type	http://www.w3.org/2002/07/owl#Class
has role	http://purl.obolibrary.org/obo/CHEBI_63175 http://purl.obolibrary.org/obo/CHEBI_68557 http://purl.obolibrary.org/obo/CHEBI_35530
InChIKey	InChIKey=DKYJWPPYONLYTF-DZJWSCHMSA-N InChIKey=QURWXBZNHXJZBE-MCDGZUPGSA-N
blocks	http://purl.obolibrary.org/obo/dinto_1552
AHFScode	92:32
Synonym	Firazyr (R)-Arginyl-(S)-arginyl-(S)-prolyl-(2S,4R)-(4-hydroxyprolyl)glycyl-(S)-(3-(2-thienyl)alanyl)-(S)-seryl-(R)-((1,2,3,4-tetrahydro-3-isoquinolyl)carbonyl)-(2S,3aS,7aS)-((hexahydro-2-indolinyl)carbonyl)-(S)-arginine acetate C59H89N19O13S C59H90N20O12S(C2H4O2)n (2S)-2-{[(3aS,7aS)-1-({2-[(2S)-2-[(2S)-2-(2-{[(4R)-1-[(1-{2-[(2R)-2-amino-5-[(diaminomethylidene)amino]pentanamido]-5-[(diaminomethylidene)amino]pentanoyl}pyrrolidin-2-yl)carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-(thiophen-2-yl)propanamido]-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)-octahydro-1H-indol-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid HOE 140 See more See less
xref	PubChem Compound:71364 CiteXplore:21945423 CiteXplore:22929539 DrugBank:DB06196 CiteXplore:21720024 Drugs.com:http://www.drugs.com/cdi/icatibant.html CiteXplore:21786213 PharmGKB:PA164749185 Wikipedia:http://en.wikipedia.org/wiki/Icatibant CiteXplore:22407888 CiteXplore:20135020 CiteXplore:22066694 KEGG DRUG:D04492 CiteXplore:22877648 ChEBI:68564 CiteXplore:20036261 National Drug Code Directory:54092-702-02 CiteXplore:21470206 CiteXplore:20067469 CiteXplore:20220009 CiteXplore:22220695 RxList:http://www.rxlist.com/firazyr-drug.htm BindingDB:50142947 CiteXplore:19878667 CiteXplore:20531238 CiteXplore:22935637 ChemSpider:64461 CASRN:138614-30-9 PubChem Substance:99443237 See more See less
CASRN	130308-48-4
prefixIRI	obo2:CHEBI_68564
SMILES	[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
may interact with	http://purl.obolibrary.org/obo/dinto_DB00519 http://purl.obolibrary.org/obo/CHEBI_8024 http://purl.obolibrary.org/obo/CHEBI_8713 http://purl.obolibrary.org/obo/CHEBI_8774 http://purl.obolibrary.org/obo/dinto_DB00691 http://purl.obolibrary.org/obo/CHEBI_3380 http://purl.obolibrary.org/obo/CHEBI_5163 http://purl.obolibrary.org/obo/CHEBI_3011 http://purl.obolibrary.org/obo/CHEBI_4784 See more See less
DBname	icatibant
InChI	InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1 InChI=1S/C59H90N20O12S.C2H4O2/c60-37(14-5-19-68-57(62)63)49(84)74-39(16-7-21-70-59(66)67)53(88)76-22-8-18-43(76)55(90)78-30-35(81)26-44(78)51(86)71-28-47(82)72-40(27-36-13-9-23-92-36)50(85)75-41(31-80)54(89)77-29-34-12-2-1-10-32(34)24-46(77)56(91)79-42-17-4-3-11-33(42)25-45(79)52(87)73-38(48(61)83)15-6-20-69-58(64)65;1-2(3)4/h1-2,9-10,12-13,23,33,35,37-46,80-81H,3-8,11,14-22,24-31,60H2,(H2,61,83)(H,71,86)(H,72,82)(H,73,87)(H,74,84)(H,75,85)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1
DBBrand	firazyr
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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