Drug Information

Drug General Information
Drug ID
D00EPS
Former ID
DIB018047
Drug Name
compound 4
Drug Type
Small molecular drug
Indication Myocardial ischemia; Reperfusion injury [ICD9: 459.89; ICD10:I99.8] Clinical trial [525421], [541671]
Structure
Download
2D MOL
Formula
C21H27N5O6S
InChI
InChI=1S/C21H27N5O6S/c22-19(23)16-8-6-14(7-9-16)10-24-20(29)17(11-27)25-21(30)18(12-28)26-33(31,32)13-15-4-2-1-3-5-15/h1-9,17-18,26-28H,10-13H2,(H3,22,23)(H,24,29)(H,25,30)/t17-,18+/m0/s1
InChIKey
ZNOKJHWJKULOGM-ZWKOTPCHSA-N
PubChem Compound ID
449051
PubChem Substance ID
833929, 7885500, 10300294, 14785495, 36890727, 46393416, 78893288, 103556806, 103910442, 104055208, 104640353, 141244720, 142825745, 178103159, 237870129, 246711430
Target and Pathway
Target(s) Urokinase-type plasminogen activator Target Info Inhibitor [525421]
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 525421Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator. J Med Chem. 2008 Jan 24;51(2):183-6.
Ref 541671(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6545).
Ref 525421Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator. J Med Chem. 2008 Jan 24;51(2):183-6.

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