EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68564 - icatibant acetate

ChEBI IDCHEBI:68564
ChEBI Nameicatibant acetate
Stars
DefinitionAn acetate salt obtained by combining icatibant with acetic acid. Used for the treatment of acute attacks of hereditary angioedema in adult patients.
Last Modified8 October 2018
SubmitterSteve
DownloadsMolfile
Formula(C2H4O2)n.C59H89N19O13S
Net Charge0
Average Mass1364.600
Monoisotopic Mass1363.68192
SMILESCC(=O)O.[H][C@@]12CCCC[C@]1([H])N(C(=O)[C@H]1Cc3ccccc3CN1C(=O)[C@H](CO)NC(=O)[C@H](Cc1cccs1)NC(=O)CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](N)CCCNC(=N)N)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C2
InChIInChI=1S/C59H89N19O13S.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t33-,35+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46+;/m0./s1
InChIKeyHKMZRZUEADSZDQ-DZJWSCHMSA-N
Roles Classification
Biological Roles:
peptidomimetic  A small protein-like chain designed to mimic a peptide.
bradykinin receptor antagonist  An antagonist at the bradykinin receptor.
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
Application:
beta-adrenergic antagonist  An agent that binds to but does not activate β-adrenergic receptors thereby blocking the actions of endogenous or exogenous β-adrenergic agonists. β-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety.
ChEBI Ontology
Outgoing Relation(s)
icatibant acetate (CHEBI:68564) has part icatibant (CHEBI:68556)
icatibant acetate (CHEBI:68564) has role bradykinin receptor antagonist (CHEBI:68557)
icatibant acetate (CHEBI:68564) has role peptidomimetic (CHEBI:63175)
icatibant acetate (CHEBI:68564) has role β-adrenergic antagonist (CHEBI:35530)
icatibant acetate (CHEBI:68564) is a acetate salt (CHEBI:59230)
Synonyms  Source
HOE 140ChemIDplus
(R)-arginyl-(S)-arginyl-()-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 acetateChemIDplus
Brand Name  Source
FirazyrKEGG DRUG
Manual XrefsDatabases
D04492KEGG DRUG
DB06196DrugBank
Registry NumbersSources
CAS:138614-30-9ChemIDplus
Citations