Drug Information

Drug General Information
Drug ID
D08VQZ
Former ID
DNC001398
Drug Name
T01312
Drug Type
Small molecular drug
Indication Discovery agent Investigative [535782]
Formula
C7H8N2O4
Canonical SMILES
C1=C(C(=O)C(=CC1=C(N)NO)O)O
InChI
1S/C7H8N2O4/c8-7(9-13)3-1-4(10)6(12)5(11)2-3/h1-2,9-11,13H,8H2
InChIKey
XNZIUZXTCXGBPF-UHFFFAOYSA-N
CAS Number
CAS 95933-74-7
PubChem Compound ID
5464467
PubChem Substance ID
634610, 14772793, 15243733, 39460737, 46204509, 49879406, 50396463, 53787522, 57363650, 104240736, 114007759, 125717229, 127315491, 127315492, 127315493, 128641228, 132560655, 134340585, 134340650, 135030432, 137106448, 137385079, 163211993, 177749061, 227839302, 230121922, 252469565
Target and Pathway
Target(s) Coagulation factor Xa Target Info Inhibitor [535782]
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 535782Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker search. J Mol Graph Model. 2003 Nov;22(2):105-14.
Ref 535782Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker search. J Mol Graph Model. 2003 Nov;22(2):105-14.

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