Drug Information

Drug General Information
Drug ID
D05MJU
Former ID
DNC000072
Drug Name
4-iodobenzo[b]thiophene 2-carboxamidine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534982]
Structure
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2D MOL

3D MOL
Formula
C9H8IN2S+
Canonical SMILES
C1=CC2=C(C=C(S2)C(=[NH2+])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)/p+1
InChIKey
YERQOXAYAFWFEJ-UHFFFAOYSA-O
CAS Number
CAS 13922-04-8
PubChem Compound ID
1746
PubChem Substance ID
583625, 830592, 830594, 830599, 830601, 4533787, 7887357, 26703698, 29220948, 46507328, 46509438, 52495922, 57321010, 104298605, 126407179, 162998404
SuperDrug ATC ID
L01XX16
SuperDrug CAS ID
cas=000459869
Target and Pathway
Target(s) Urokinase-type plasminogen activator Target Info Inhibitor [534982]
KEGG Pathway 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 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
Reactome Dissolution of Fibrin Clot
WikiPathways DNA Damage Response (only ATM dependent)
Senescence and Autophagy in Cancer
Complement and Coagulation Cascades
Endochondral Ossification
Wnt Signaling Pathway
Wnt Signaling Pathway and Pluripotency
Blood Clotting Cascade
Dissolution of Fibrin Clot
Osteopontin Signaling
References
Ref 534982Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312.
Ref 534982Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312.

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