Drug Information

Drug General Information
Drug ID
D0I0ON
Former ID
DNC001445
Drug Name
Tick anticoagulant peptide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535302], [535352]
Structure
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2D MOL

3D MOL
Formula
C63H111N11O12
Canonical SMILES
CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N<br />(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)<br />C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C<br />)C(C)C
InChI
1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1
InChIKey
YJDYDFNKCBANTM-QCWCSKBGSA-N
CAS Number
CAS 99-66-1
PubChem Compound ID
5281884
PubChem Substance ID
13393, 629786, 8616835, 12014683, 14792638, 14939450, 39315469, 47207934, 53787223, 57358436, 80185225, 103756868, 113856125, 123120912, 126682516, 134338954, 134340628, 135029355, 136340329, 137262651, 160870061, 162201859, 163621062, 163686385, 164766082, 184547718, 223440908, 223656435, 226407940, 241376778, 251970981, 252110095, 252157735, 252216124, 252347722
ChEBI ID
ChEBI:39867
Target and Pathway
Target(s) Coagulation factor Xa Target Info Inhibitor [535302], [535352]
KEGG Pathway Complement and coagulation cascades
PANTHER Pathway Blood coagulation
Pathway Interaction Database Beta2 integrin cell surface interactions
PathWhiz Pathway Coagulation
Reactome Extrinsic Pathway of Fibrin Clot Formation
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
WikiPathways Complement and Coagulation Cascades
Human Complement System
PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)
References
Ref 535302Non-hemostatic activity of coagulation factor Xa: potential implications for various diseases. Curr Opin Pharmacol. 2001 Apr;1(2):169-75.
Ref 535352Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.
Ref 535302Non-hemostatic activity of coagulation factor Xa: potential implications for various diseases. Curr Opin Pharmacol. 2001 Apr;1(2):169-75.
Ref 535352Novel approaches to the treatment of thrombosis. Trends Pharmacol Sci. 2002 Jan;23(1):25-32.

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