Drug Information

Drug General Information
Drug ID
D05QDO
Former ID
DNC003658
Drug Name
2-amidino-4-iodobenzothiophene
Synonyms
4-Iodo-benzo[b]thiophene-2-carboxamidine
Indication Discovery agent Investigative [530682]
Structure
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3D MOL
Canonical SMILES
C1=CC2=C(C=C(S2)C(=N)N)C(=C1)I
InChI
1S/C9H7IN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
InChIKey
YERQOXAYAFWFEJ-UHFFFAOYSA-N
Target and Pathway
Target(s) Coagulation factor IX Target Info Inhibitor [530682]
Urokinase-type plasminogen activator Target Info Inhibitor [526259]
KEGG Pathway Complement and coagulation cascadeshsa04064:NF-kappa B signaling pathway
Complement and coagulation cascades
Transcriptional misregulation in cancer
Proteoglycans in cancer
MicroRNAs in cancer
NetPath Pathway IL2 Signaling Pathway
EGFR1 Signaling Pathway
PANTHER Pathway Blood coagulationP00011:Blood coagulation
Plasminogen activating cascade
CCKR signaling map ST
Pathway Interaction Database Beta1 integrin cell surface interactions
E2F transcription factor network
Beta3 integrin cell surface interactions
Osteopontin-mediated events
Validated transcriptional targets of AP1 family members Fra1 and Fra2
amb2 Integrin signaling
ATF-2 transcription factor network
AP-1 transcription factor network
Beta2 integrin cell surface interactions
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
Beta5 beta6 beta7 and beta8 integrin cell surface interactions
FGF signaling pathway
PathWhiz Pathway Coagulation
Reactome Extrinsic Pathway of Fibrin Clot Formation
Intrinsic 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 proteinsR-HSA-75205:Dissolution of Fibrin Clot
WikiPathways Complement and Coagulation Cascades
PTM: gamma carboxylation, hypusine formation and arylsulfatase activation
Blood Clotting Cascade
Formation of Fibrin Clot (Clotting Cascade)WP710:DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Endochondral Ossification
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
Dissolution of Fibrin Clot
Osteopontin Signaling
References
Ref 530682J Med Chem. 2010 Feb 25;53(4):1465-72.Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis.
Ref 526259Bioorg Med Chem Lett. 2002 Feb 11;12(3):491-5.Design and synthesis of 4,5-disubstituted-thiophene-2-amidines as potent urokinase inhibitors.
Ref 530682J Med Chem. 2010 Feb 25;53(4):1465-72.Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis.