FONDAPARINUX

Search structure
Synonyms:
Status: Approved (2001)
Entry Type: Oligosaccharide
Molecule Category: Parent
ATC: B01AX05
UNII: J177FOW5JL

Structure
InChI Key TXIFUDXAZRPJLS-CMHJJOLKSA-D
Smile CO[C@H]1O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](COC[C@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O[C@@H]4O[C@H](C(=O)[O-])[C@@H](COC[C@H]5O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]5NS(=O)(=O)[O-])[C@H](O)[C@H]4O)[C@H](OS(=O)(=O)[O-])[C@H]3NS(=O)(=O)[O-])[C@H](O)[C@H]2OS(=O)(=O)[O-])[C@H](O)[C@H]1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C35H61N3O49S8.10Na/c1-73-33-18(38-90(55,56)57)23(43)27(14(81-33)7-77-92(61,62)63)84-35-30(87-95(70,71)72)20(40)10(26(83-35)32(47)48)3-75-5-12-17(37-89(52,53)54)29(86-94(67,68)69)28(15(80-12)8-78-93(64,65)66)85-34-24(44)19(39)9(25(82-34)31(45)46)2-74-4-11-16(36-88(49,50)51)22(42)21(41)13(79-11)6-76-91(58,59)60;;;;;;;;;;/h9-30,33-44H,2-8H2,1H3,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;;;;;;;/q;10*+1/p-10/t9-,10-,11+,12+,13+,14+,15+,16-,17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,33-,34-,35-;;;;;;;;;;/m0........../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H53N3O49S8
Molecular Weight 1508.27
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

Primary Target
serpin family C member 1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S1A subfamily
- 11 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Thromboembolism 3 D013923 ClinicalTrials
Venous Thrombosis 3 D020246 ClinicalTrials
Venous Thromboembolism 3 D054556 ClinicalTrials
Acute Coronary Syndrome 3 D054058 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Respiratory Insufficiency 2 D012131 ClinicalTrials
Thrombocytopenia 2 D013921 ClinicalTrials
Atrial Fibrillation 2 D001281 ClinicalTrials
Pneumonia, Viral 2 D011024 ClinicalTrials
Ovarian Neoplasms 1 D010051 ClinicalTrials
Renal Insufficiency 1 D051437 ClinicalTrials
Obesity, Morbid 1 D009767 ClinicalTrials

Related Entries

MCS

Scaffolds

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 104993-28-4
ChEBI 61033
ChEMBL CHEMBL1201202
DrugBank DB00569
DrugCentral 1236
EPA CompTox DTXSID10146903
FDA SRS J177FOW5JL
Human Metabolome Database HMDB0014709
Guide to Pharmacology 6819
PubChem 5282448
SureChEMBL SCHEMBL17655218
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