Therapeutic Targets Database
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TTD Drug ID: DCL000131

Drug Information
NameIcatibant
SynonymsWIN 65365; AC1Q5QRX; 130308-48-4; HOE 140; (2S)-2-[[(3aS,7aS)-1-[2-[(2S)-2-[[(2S)-2-[[2-[[(4R)-1-[1-[2-[[(2R)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetyl]amino]-3-thiophen-2-ylpropanoyl]amino]-3-hydroxypropanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid; JE049; AC1L2G0Q; L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-D-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-; DB06196; 13996-86-6; Firazyr; Icatibant; LS-172762; Hoe-140; HOE140; AR-1A3141; C59H89N19O13S; L-Arginine, D-arginyl-L-arginyl-L-prolyl-trans-4-hydroxy-L-prolylglycyl-3-(2-thienyl)-L-alanyl-L-seryl-L-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-L-(2alpha,3abeta,7abeta)-octahydro-1H-indole-2-carbonyl-; CHEMBL411169; WIN-65365; 138614-30-9 (acetate); CHEBI:163731; Icatibant [INN]; CID71364; KST-1A1301; 153322-84-0; (2s)-2-({[(3as,7as)-1-({2-[(2s)-2-{[(2s)-2-({[({(4r)-1-[(1-{2-({(2r)-2-amino-5-[(diaminomethylidene)amino]pentanoyl}amino)-5-[(diaminomethylidene)amino]pentanoyl}pyrrolidin-2-yl)carbonyl]-4-hydroxypyrrolidin-2-yl}carbonyl)amino]acetyl}amino)-3-(thiophen-2-yl)propanoyl]amino}-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}carbonyl)octahydro-1h-indol-2-yl]carbonyl}amino)-5-[(diaminomethylidene)amino]pentanoic acid(non-preferred name); D-Arg(Hyp(3)-Thi(5)-D-Tic(7)-Oic(8))BK
CompanyJerini AG
IndicationHereditary Angioedema (HAE)
[ICD9: 277.6   ICD10: D84.1]
Phase III, Positive phase III results    
Liver Disease
[ICD9: 570-574   ICD10: K70-K77]
Phase IIa completed    
Structure

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InChI1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-6
8-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(8
4)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)7
6-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-4
5(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,7
2,82)(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
InChIKeyQURWXBZNHXJZBE-MCDGZUPGSA-N
Canonical SMILESC1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=
O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C
(=O)NC(CCCN=C(N)N)C(=O)O    
Isomeric SMILESC1CC[C@H]2[C@@H](C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H]
(CC5=CC=CS5)NC(=O)CNC(=O)C6C[C@H](CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=
O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Therapeutic ClassAntiinflammatory Agents
CAS NumberCAS 138614-30-9
PubChem Compound IDCID 71364.
PubChem Substance IDSID 213595.
SuperDrug ATC IDB06AC02
ClinicalTrials.govNCT00303056;
NCT00997204;
TargetBradykinin receptor B2Antagonist[1][2][3]
Ref 1Bradykinin receptor antagonists--a review of the patent literature 2005-2008. Expert Opin Ther Pat. 2009 Jul;19(7):919-41. To Reference
Ref 2Pharmacological characterization of the bradykinin B2 receptor antagonist MEN16132 in rat in vitro bioassays. Eur J Pharmacol. 2009 Aug 1;615(1-3):10-6. Epub 2009 May 13. To Reference
Ref 3Bradykinin in the heart: friend or foe? Circulation. 1999 Dec 7;100(23):2305-7. To Reference



 

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