Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0F3SZ
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| Former ID |
DNC000730
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| Drug Name |
Hirudin
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Phase 4 | [524467] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C68H96N14O26
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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)NC(C)C(=O)O)<br />NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)<br />NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)N
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| InChI |
1S/C68H96N14O26/c1-6-34(4)56(81-61(100)43(21-25-54(92)93)75-58(97)40(18-22-51(86)87)76-63(102)45(28-36-11-8-7-9-12-36)80-65(104)47(31-55(94)95)73-50(85)32-71-57(96)39(69)30-49(70)84)67(106)82-26-10-13-48(82)66(105)77-42(20-24-53(90)91)59(98)74-41(19-23-52(88)89)60(99)79-46(29-37-14-16-38(83)17-15-37)64(103)78-44(27-33(2)3)62(101)72-35(5)68(107)108/h7-9,11-12,14-17,33-35,39-48,56,83H,6,10,13,18-32,69H2,1-5H3,(H2,70,84)(H,71,96)(H,72,101)(H,73,85)(H,74,98)(H,75,97)(H,76,102)(H,77,105)(H,78,103)(H,79,99)(H,80,104)(H,81,100)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,107,108)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,56-/m0/s1
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| InChIKey |
VLFYEJLWSPRLPB-NETUVYTNSA-N
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| CAS Number |
CAS 120993-53-5
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Coagulation factor IIa | Target Info | Inhibitor | [535224], [535605], [538091] | |
| 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 | |||||
| Ref 535224 | New anticoagulants. Am Heart J. 2001 Aug;142(2 Suppl):S3-8. | ||||
| Ref 535605 | Probing the hirudin-thrombin interaction by incorporation of noncoded amino acids and molecular dynamics simulation. Biochemistry. 2002 Nov 19;41(46):13556-69. | ||||
| Ref 538091 | Assessment of thrombin inhibitor efficacy in a novel rabbit model of simultaneous arterial and venous thrombosis. Thromb Haemost. 1998 Mar;79(3):656-62. | ||||
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