Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D09FGS
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| Former ID |
DNC000328
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| Drug Name |
Bivalirudine
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [535345] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C98H138N24O33
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| Canonical SMILES |
CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C<br />(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC<br />C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC<br />(=O)O)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)CNC(=O<br />)CNC(=O)C4CCCN4C(=O)C(CCCNC(=N)N)NC(=O)C5CCCN5C(=O)C(CC<br />6=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 82186-77-4
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| PubChem Compound ID | |||||
| PubChem Substance ID |
14891095, 15363303, 28730038, 37101831, 46506040, 50064314, 57379916, 87225364, 92741779, 93815073, 126592971, 126665101, 134337833, 134339632, 134340084, 135030342, 135830341, 137002922, 152134063, 160697853, 160965546, 162185628, 178103084, 179116987, 187072130, 196105787, 223435017, 223657232, 226413752
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| Target and Pathway | |||||
| Target(s) | Coagulation factor IIa | Target Info | Inhibitor | [535345] | |
| NetPath Pathway | TCR Signaling Pathway | ||||
| PANTHER Pathway | Blood coagulation | ||||
| PathWhiz Pathway | Vitamin K Metabolism | ||||
| Coagulation | |||||
| Reactome | Intrinsic Pathway of Fibrin Clot Formation | ||||
| Common Pathway of Fibrin Clot Formation | |||||
| Gamma-carboxylation of protein precursors | |||||
| Transport of gamma-carboxylated protein precursors from the endoplasmic reticulum to the Golgi apparatus | |||||
| Removal of aminoterminal propeptides from gamma-carboxylated proteins | |||||
| Cell surface interactions at the vascular wall | |||||
| Peptide ligand-binding receptors | |||||
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||||
| G alpha (q) signalling events | |||||
| Thrombin signalling through proteinase activated receptors (PARs) | |||||
| WikiPathways | Complement and Coagulation Cascades | ||||
| Regulation of Actin Cytoskeleton | |||||
| IL1 and megakaryotyces in obesity | |||||
| Regulation of Insulin-like Growth Factor (IGF) Transport and Uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) | |||||
| PTM: gamma carboxylation, hypusine formation and arylsulfatase activation | |||||
| Blood Clotting Cascade | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Thrombin signalling through proteinase activated receptors (PARs) | |||||
| Platelet Aggregation (Plug Formation) | |||||
| GPCR ligand binding | |||||
| GPCR downstream signaling | |||||
| Formation of Fibrin Clot (Clotting Cascade) | |||||
| Cell surface interactions at the vascular wall | |||||
| Folate Metabolism | |||||
| Vitamin B12 Metabolism | |||||
| Selenium Micronutrient Network | |||||
| References | |||||
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