Drug Details
| General Information of the Drug (ID: DR9857) | ||||
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| Name |
Bivalirudin
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| Synonyms |
Bivalirudin; 128270-60-0; Angiomax; BG-8967; Bivalirudin Trifluoroacetate; BG8967; Hirulog; UNII-TN9BEX005G; CHEBI:59173; TN9BEX005G; D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucine; L-Leucine, D-phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginylglycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-; Angiox; bivalirudina; bivalirudine; bivalirudinum; BG 8967; Bivalirudin [USAN:INN:BAN]; C98H138N24O33; HS-2004; SCHEMBL25739; GTPL6470; Bivalirudin trifluoroacetate salt; CHEMBL2103749; DTXSID00155847; Bivalirudin;0.9% Sodium Chloride; 1191386-55-6; EBD32115; BDBM50248103; MFCD08692016; AKOS015994644; DB00006; 70B600; 270B600; J-005587; Q4919218; (R,R)-2,6-Bis(4,5-dihydro-4-phenyl-2-oxazolyl)pyridine; (R,R)-2,6-Bis(4-phenyl-2-oxazolinyl)pyridine; (+)-2,6-Bis[(4R)-4-phenyl-2-oxazolin-2-yl]pyridine
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| Molecular Type |
Small molecule
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| Disease | Thrombocytopenia [ICD-11: 3B64] | Approved | [1] | |
| Structure |
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Click to Download Mol2D MOL |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | ||||
| Formula |
C98H138N24O33
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| PubChem CID | ||||
| Canonical SMILES |
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)C(CC6=CC=CC=C6)N
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| InChI |
1S/C98H138N24O33/c1-5-52(4)82(96(153)122-39-15-23-70(122)92(149)114-60(30-34-79(134)135)85(142)111-59(29-33-78(132)133)86(143)116-64(43-55-24-26-56(123)27-25-55)89(146)118-67(97(154)155)40-51(2)3)119-87(144)61(31-35-80(136)137)112-84(141)58(28-32-77(130)131)113-88(145)63(42-54-18-10-7-11-19-54)117-90(147)66(45-81(138)139)110-76(129)50-107-83(140)65(44-71(100)124)109-75(128)49-106-73(126)47-104-72(125)46-105-74(127)48-108-91(148)68-21-13-38-121(68)95(152)62(20-12-36-103-98(101)102)115-93(150)69-22-14-37-120(69)94(151)57(99)41-53-16-8-6-9-17-53/h6-11,16-19,24-27,51-52,57-70,82,123H,5,12-15,20-23,28-50,99H2,1-4H3,(H2,100,124)(H,104,125)(H,105,127)(H,106,126)(H,107,140)(H,108,148)(H,109,128)(H,110,129)(H,111,142)(H,112,141)(H,113,145)(H,114,149)(H,115,150)(H,116,143)(H,117,147)(H,118,146)(H,119,144)(H,130,131)(H,132,133)(H,134,135)(H,136,137)(H,138,139)(H,154,155)(H4,101,102,103)/t52-,57+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,82-/m0/s1
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| InChIKey |
OIRCOABEOLEUMC-GEJPAHFPSA-N
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| CAS Number |
CAS 128270-60-0
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| ChEBI ID | ||||
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| DrugBank ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Heparin | Filipendula ulmaria | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Biological
Regulation |
Decrease | clotting time | ||||
| In-vitro Model | Human fibroblasts collected from a skin biopsy | Healthy | Homo sapiens | |||
| Human liver non-parenchymal cells obtained after liver isolation | Healthy | Homo sapiens | ||||
| hALPCs obtained from healthy liver donors | Healthy | Homo sapiens | ||||
| Experimental
Result(s) |
Concomitant administration of an antithrombin activator or direct factor Xa inhibitor and direct thrombin inhibitor proved to be a particularly effective combination for controlling the procoagulant effects of hALPCs both in vitro and in vivo. | |||||
| Target and Pathway | ||||
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| Target(s) | Coagulation factor IIa (F2) | Molecule Info | [3] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | Click to Show/Hide | ||
| 2 | Complement and coagulation cascades | |||
| 3 | Regulation of actin cytoskeleton | |||
| NetPath Pathway | TCR Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Blood coagulation | Click to Show/Hide | ||
| Pathwhiz Pathway | Vitamin K Metabolism | Click to Show/Hide | ||
| 2 | Coagulation | |||
| Pathway Interaction Database | Thrombin/protease-activated receptor (PAR) pathway | Click to Show/Hide | ||
| 2 | Angiopoietin receptor Tie2-mediated signaling | |||
| 3 | FOXA2 and FOXA3 transcription factor networks | |||
| 4 | PAR4-mediated thrombin signaling events | |||
| 5 | Syndecan-4-mediated signaling events | |||
| 6 | PAR1-mediated thrombin signaling events | |||
| Reactome | Intrinsic Pathway of Fibrin Clot Formation | Click to Show/Hide | ||
| 2 | Common Pathway of Fibrin Clot Formation | |||
| 3 | Gamma-carboxylation of protein precursors | |||
| 4 | Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus | |||
| 5 | Removal of aminoterminal propeptides from gamma-carboxylated proteins | |||
| 6 | Cell surface interactions at the vascular wall | |||
| 7 | Peptide ligand-binding receptors | |||
| 8 | Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||
| 9 | G alpha (q) signalling events | |||
| 10 | Thrombin signalling through proteinase activated receptors (PARs) | |||
| WikiPathways | Complement and Coagulation Cascades | Click to Show/Hide | ||
| 2 | Regulation of Actin Cytoskeleton | |||
| 3 | IL1 and megakaryotyces in obesity | |||
| 4 | Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||
| 5 | PTM: gamma carboxylation, hypusine formation and arylsulfatase activation | |||
| 6 | Blood Clotting Cascade | |||
| 7 | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| 8 | Thrombin signalling through proteinase activated receptors (PARs) | |||
| 9 | Platelet Aggregation (Plug Formation) | |||
| 10 | GPCR ligand binding | |||
| 11 | GPCR downstream signaling | |||
| 12 | Formation of Fibrin Clot (Clotting Cascade) | |||
| 13 | Cell surface interactions at the vascular wall | |||
| 14 | Folate Metabolism | |||
| 15 | Vitamin B12 Metabolism | |||
| 16 | Selenium Micronutrient Network | |||
