ICATIBANT ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2011)
Entry Type: Protein
Molecule Category: Salt
UNII: 325O8467XK
Parent Compound: ICATIBANT

Structure
InChI Key HKMZRZUEADSZDQ-DZJWSCHMSA-N
Smile CC(=O)O.N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1Cc2ccccc2CN1C(=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(=O)O
InChI
InChI=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

Physicochemical Descriptors

Property Name Value
Molecular Formula C61H93N19O15S
Molecular Weight 1364.6
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Bradykinin B2 receptor antagonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Angioedemas, Hereditary 4 D054179 ClinicalTrials
Inflammation 2 D007249 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
16.29
General disorders and administration site conditions
14.88
Immune system disorders
14.36
Injury, poisoning and procedural complications
10.34
Congenital, familial and genetic disorders
8.58
Respiratory, thoracic and mediastinal disorders
7.1
Gastrointestinal disorders
4.95
Nervous system disorders
3.82
Vascular disorders
3.12
Infections and infestations
2.88
Cardiac disorders
2.29

Cross References

Resources Reference
ChEMBL CHEMBL2028852
FDA SRS 325O8467XK
PubChem 6918172
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