Detailed information for compound 542354

Basic information

Technical information
  • TDR Targets ID: 542354
  • Name: 5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-b enzoxazocin-5-ium chloride
  • MW: 289.8 | Formula: C17H20ClNO
  • H donors: 0 H acceptors: 0 LogP: 3.68 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCOC(c2c(C1)cccc2)c1ccccc1.Cl
  • InChi: 1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
  • InChiKey: CNNVSINJDJNHQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine hydrochloride
  • Nefopam
  • 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-5-ium chloride
  • 13669-70-0
  • 1H-2,5-BENZOXAZOCINE, 5-METHYL-1-PHENYL-3,4,5,6-TETRAHYDRO-, HYDROCHLORIDE
  • 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride
  • 3,4,5,6-Tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
  • 5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride
  • Acupan
  • Ajan
  • EINECS 245-585-5
  • Fenazoxine hydrochloride
  • Lenipan
  • Leoplexamin
  • Nefopam hydrochloride [USAN]
  • Oxadol
  • Pallopikeron
  • R 738
  • Sinalgico
  • 23327-57-3
  • 69319-31-9
  • ST5319951
  • Acupan (TN)
  • D05133
  • Nefopam hydrochloride (USAN)
  • Nefopam hydrochloride
  • 5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-benzo[f][1,4]oxazocine
  • Prestwick_351

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lim domain 0.0021 0.0171 0.0163
Echinococcus granulosus syndecan binding protein syntenin 0.0021 0.0171 0.0163
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0021 0.0171 0.0163
Loa Loa (eye worm) 9ORF binding protein 1 0.0021 0.0171 0.014
Echinococcus multilocularis pdz domain containing protein 0.0021 0.0171 0.0163
Echinococcus multilocularis pdz domain containing protein 0.0021 0.0171 0.0163
Schistosoma mansoni multiple pdz domain protein 0.0021 0.0171 0.0163
Brugia malayi FAD binding domain containing protein 0.0507 0.6142 0.6131
Echinococcus multilocularis multiple pdz domain protein 0.0021 0.0171 0.0163
Plasmodium vivax flavodoxin domain containing protein 0.0727 0.8854 0.8717
Schistosoma mansoni rab3 interacting molecule (rim)-related 0.0021 0.0171 0.0163
Schistosoma mansoni dishevelled 0.0021 0.0171 0.0163
Leishmania major cytochrome-b5 reductase, putative 0.0093 0.1062 0.0373
Echinococcus granulosus SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Brugia malayi C2 domain containing protein 0.0021 0.0171 0.0141
Schistosoma mansoni amyloid beta A4 protein related 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0314 0.3773 0.3773
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0093 0.1062 0.2626
Brugia malayi Peripheral plasma membrane protein CASK 0.0021 0.0171 0.0141
Schistosoma mansoni syntrophin 0.0021 0.0171 0.0163
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4252 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0821 1 1
Brugia malayi PDZ domain containing protein 0.0021 0.0171 0.0141
Echinococcus multilocularis disks large 3 0.0021 0.0171 0.0163
Brugia malayi Protein-tyrosine phosphatase 1 0.0021 0.0171 0.0141
Echinococcus granulosus NADH cytochrome b5 reductase 3 0.0093 0.1062 0.1054
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0314 0.3773 0.3773
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Schistosoma mansoni hypothetical protein 0.0195 0.2309 0.2303
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni discs lost-related 0.0021 0.0171 0.0163
Brugia malayi Patj homolog 0.0021 0.0171 0.0141
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Trypanosoma cruzi p450 reductase, putative 0.0821 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0821 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0821 1 1
Echinococcus multilocularis pdz domain containing protein 0.0021 0.0171 0.0163
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.4252 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Loa Loa (eye worm) PAR-6 protein 0.0021 0.0171 0.014
Brugia malayi PDZ domain 0.0021 0.0171 0.0141
Schistosoma mansoni protein kinase C alpha binding protein 0.0021 0.0171 0.0163
Schistosoma mansoni cell polarity protein 0.0021 0.0171 0.0163
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0314 0.3773 0.3033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0467 0.0459
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Echinococcus multilocularis MAGUK p55 subfamily 0.0021 0.0171 0.0163
Brugia malayi gamma-syntrophin-like protein SYN2 0.0021 0.0171 0.0141
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.0715 0.0708
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0021 0.0171 0.0163
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.029 0.026
Schistosoma mansoni cpg binding protein 0.0032 0.0311 0.0304
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0031 0.0023
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0314 0.3773 0.3033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni hypothetical protein 0.0195 0.2309 0.2303
Echinococcus granulosus MAGUK p55 subfamily 0.0021 0.0171 0.0163
Leishmania major cytochrome-b5 reductase, putative 0.0093 0.1062 0.0373
Echinococcus granulosus disks large 3 0.0021 0.0171 0.0163
Brugia malayi Syntrophin-1 0.0021 0.0171 0.0141
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0093 0.1062 0.1054
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus PRKCA binding protein 0.0021 0.0171 0.0163
Schistosoma mansoni pdz and lim domain protein 0.0021 0.0171 0.0163
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0537 0.0509
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Echinococcus multilocularis Na(+):H(+) exchange regulatory cofactor NHE RF2 0.0021 0.0171 0.0163
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0711 0.0703
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Echinococcus granulosus 3'partial|membrane associated guanylate kinase ww and pdz 0.0021 0.0171 0.0163
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0467 0.0438
Schistosoma mansoni diflavin oxidoreductase 0.0407 0.4919 0.4915
Echinococcus multilocularis PRKCA binding protein 0.0021 0.0171 0.0163
Schistosoma mansoni ATP-dependent RNA Helicase 0.0021 0.0171 0.0163
Schistosoma mansoni leucine-rich repeat protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) protein-tyrosine phosphatase 1 0.0021 0.0171 0.014
Echinococcus multilocularis MAGUK p55 subfamily 0.0021 0.0171 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Echinococcus multilocularis MAGUK p55 subfamily 0.0021 0.0171 0.0163
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Echinococcus granulosus beta 1 syntrophin 0.0021 0.0171 0.0163
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Echinococcus multilocularis segment polarity protein dishevelled 0.0021 0.0171 0.0163
Loa Loa (eye worm) gopc protein 0.0021 0.0171 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Brugia malayi hypothetical protein 0.0248 0.2963 0.2942
Schistosoma mansoni Patj homolog 0.0021 0.0171 0.0163
Echinococcus granulosus neurabin 1 0.0021 0.0171 0.0163
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0821 1 1
Schistosoma mansoni multiple pdz domain protein 0.0021 0.0171 0.0163
Schistosoma mansoni syntenin 0.0021 0.0171 0.0163
Echinococcus granulosus cytochrome b5 reductase 4 0.0093 0.1062 0.1054
Brugia malayi cell junction protein LIN-7 0.0021 0.0171 0.0141
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0021 0.0171 0.0163
Echinococcus granulosus membrane associated guanylate kinase, WW and PDZ 0.0021 0.0171 0.0163
Echinococcus multilocularis peripheral plasma membrane protein CASK 0.0021 0.0171 0.0163
Leishmania major hypothetical protein, conserved 0.0314 0.3773 0.3293
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0821 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Leishmania major nitrate reductase, putative 0.0093 0.1062 0.0373
Echinococcus multilocularis cytochrome b5 reductase 4 0.0093 0.1062 0.1054
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0821 1 1
Brugia malayi Guanylate kinase family protein 0.0021 0.0171 0.0141
Schistosoma mansoni hypothetical protein 0.0051 0.0537 0.0529
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0821 1 1
Echinococcus multilocularis glutamate receptor interacting protein 1 0.0021 0.0171 0.0163
Onchocerca volvulus 0.0031 0.029 0.1341
Echinococcus granulosus geminin 0.0195 0.2309 0.2303
Echinococcus granulosus Microtubule-associated serine/threonine-protein kinase 0.0021 0.0171 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Brugia malayi gopc protein 0.0021 0.0171 0.0141
Brugia malayi microtubule-associated serine/threonine protein kinase 2 (MAST2) 0.0021 0.0171 0.0141
Echinococcus granulosus MAGUK p55 subfamily 0.0021 0.0171 0.0163
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0727 0.8854 0.8854
Schistosoma mansoni PDZ domain protein 0.0021 0.0171 0.0163
Echinococcus multilocularis ligand of numb protein x 2 0.0021 0.0171 0.0163
Schistosoma mansoni multiple pdz domain protein 0.0021 0.0171 0.0163
Brugia malayi Abnormal embryonic partitioning of cytoplasm protein 3 0.0021 0.0171 0.0141
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus tight junction protein ZO 3 0.0021 0.0171 0.0163
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0021 0.0171 0.0163
Schistosoma mansoni MAGUK homolog 0.0021 0.0171 0.0163
Loa Loa (eye worm) DIX domain-containing protein 0.0021 0.0171 0.014
Loa Loa (eye worm) RasGEF domain-containing protein 0.0021 0.0171 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus peripheral plasma membrane protein CASK 0.0021 0.0171 0.0163
Mycobacterium ulcerans flavodoxin oxidoreductase 0.0093 0.1062 0.0373
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0021 0.0171 0.0163
Brugia malayi FAD binding domain containing protein 0.0821 1 1
Echinococcus granulosus partitioning defective 3 0.0021 0.0171 0.0163
Loa Loa (eye worm) guanylate kinase 0.0021 0.0171 0.014
Brugia malayi interleukin-16 0.0021 0.0171 0.0141
Echinococcus granulosus myeloid:lymphoid or mixed lineage leukemia 0.0021 0.0171 0.0163
Echinococcus multilocularis myeloid:lymphoid or mixed lineage leukemia 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis beta 1 syntrophin 0.0021 0.0171 0.0163
Brugia malayi syntenin 0.0021 0.0171 0.0141
Loa Loa (eye worm) hypothetical protein 0.0248 0.2963 0.2941
Echinococcus multilocularis neurabin 1 0.0021 0.0171 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Echinococcus granulosus Rho GTPase activating protein 21 0.0021 0.0171 0.0163
Echinococcus granulosus pdz domain containing protein 0.0021 0.0171 0.0163
Leishmania major NADH-cytochrome b5 reductase, putative 0.0093 0.1062 0.0373
Leishmania major NADH-cytochrome b5 reductase, putative 0.0093 0.1062 0.0373
Echinococcus multilocularis tight junction protein ZO 3 0.0021 0.0171 0.0163
Schistosoma mansoni lin-7-like proteins 0.0021 0.0171 0.0163
Brugia malayi PDZ domain containing protein 0.0021 0.0171 0.0141
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Leishmania major p450 reductase, putative 0.0821 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Brugia malayi protein kinase C-binding protein PICK1 0.0021 0.0171 0.0141
Schistosoma mansoni cytochrome B5 0.0093 0.1062 0.1054
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0467 0.0459
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0314 0.3773 0.3773
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Plasmodium vivax hypothetical protein, conserved 0.0314 0.3773 0.3033
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0031 0.0023
Mycobacterium tuberculosis Probable monooxygenase 0.0093 0.1062 0.2626
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0467 0.0459
Echinococcus granulosus pdz domain containing protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Brugia malayi diaphorase 0.0093 0.1062 0.1035
Schistosoma mansoni cpg binding protein 0.0031 0.029 0.0282
Brugia malayi PDZ domain containing protein 0.0021 0.0171 0.0141
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.0715 0.0209
Leishmania major NADH-cytochrome b5 reductase, putative 0.0093 0.1062 0.0373
Schistosoma mansoni discs large 0.0021 0.0171 0.0163
Brugia malayi Guanylate kinase family protein 0.0021 0.0171 0.0141
Echinococcus granulosus pdz domain containing protein 0.0021 0.0171 0.0163
Chlamydia trachomatis Na(+)-translocating NADH-quinone reductase subunit F 0.0093 0.1062 0.1492
Mycobacterium ulcerans oxygenase 0.0093 0.1062 0.0373
Leishmania major reductase, putative 0.0093 0.1062 0.0373
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0021 0.0171 0.0141
Loa Loa (eye worm) syntrophin-1 0.0021 0.0171 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni cell polarity protein 0.0021 0.0171 0.0163
Giardia lamblia Hypothetical protein 0.0727 0.8854 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0507 0.6142 0.6139
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0821 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2034 0.5
Echinococcus multilocularis membrane associated guanylate kinase, WW and PDZ 0.0021 0.0171 0.0163
Echinococcus granulosus rho guanine nucleotide exchange factor 12 0.0021 0.0171 0.0163
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0821 1 1
Echinococcus granulosus multiple pdz domain protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) flavodoxin family protein 0.0314 0.3773 0.3753
Echinococcus multilocularis membrane associated guanylate kinase ww and pdz 0.0021 0.0171 0.0163
Echinococcus multilocularis protein piccolo 0.0021 0.0171 0.0163
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2034 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0821 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis rho guanine nucleotide exchange factor 12 0.0021 0.0171 0.0163
Echinococcus multilocularis multiple pdz domain protein 0.0021 0.0171 0.0163
Echinococcus multilocularis segment polarity protein dishevelled 0.0021 0.0171 0.0163
Echinococcus multilocularis Partitioning defective 3 protein B 0.0021 0.0171 0.0163
Brugia malayi DIX domain containing protein 0.0021 0.0171 0.0141
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Mycobacterium ulcerans flavodoxin reductase Hmp 0.0093 0.1062 0.0373
Echinococcus granulosus amyloid beta A4 protein 0.0021 0.0171 0.0163
Trichomonas vaginalis sulfite reductase, putative 0.0821 1 1
Echinococcus multilocularis pdz domain containing protein 0.0021 0.0171 0.0163
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0467 0.0459
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2963 0.2957
Echinococcus multilocularis partitioning defective protein 6 0.0021 0.0171 0.0163
Echinococcus multilocularis Rho GTPase activating protein 21 0.0021 0.0171 0.0163
Echinococcus granulosus Na:H exchange regulatory cofactor NHE RF2 0.0021 0.0171 0.0163
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.1062 0.2626
Echinococcus multilocularis amyloid beta A4 protein 0.0021 0.0171 0.0163
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0171 0.0163
Toxoplasma gondii flavodoxin domain-containing protein 0.0407 0.4919 1
Chlamydia trachomatis sulfite reductase 0.0507 0.6142 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0467 0.0459
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Schistosoma mansoni cell polarity protein 0.0021 0.0171 0.0163
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.0021 0.0171 0.0163
Leishmania major NADH-dependent fumarate reductase, putative 0.0093 0.1062 0.0373
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0314 0.3773 0.3033
Mycobacterium tuberculosis Possible oxygenase 0.0093 0.1062 0.2626
Loa Loa (eye worm) diaphorase 0.0093 0.1062 0.1034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0467 0.0459
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0467 0.0459
Schistosoma mansoni survival motor neuron protein 0.0051 0.0537 0.0529
Echinococcus granulosus SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Echinococcus multilocularis methionine synthase reductase 0.0507 0.6142 0.6139
Brugia malayi Synapse defective protein 1 0.0021 0.0171 0.0141
Schistosoma mansoni MAGUK homolog 0.0021 0.0171 0.0163
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0093 0.1062 0.1015
Echinococcus multilocularis multiple pdz domain protein 0.0021 0.0171 0.0163
Brugia malayi rho guanine nucleotide exchange factor 12 0.0021 0.0171 0.0141
Echinococcus multilocularis cpg binding protein 0.0032 0.0311 0.0304
Echinococcus multilocularis geminin 0.0195 0.2309 0.2303
Brugia malayi Neurabin protein 1 0.0021 0.0171 0.0141
Brugia malayi flavodoxin family protein 0.0314 0.3773 0.3754
Echinococcus granulosus partitioning defective 3 0.0021 0.0171 0.0163
Echinococcus multilocularis protein lin 7 B 0.0021 0.0171 0.0163
Schistosoma mansoni pdz domain containing protein 0.0021 0.0171 0.0163
Echinococcus granulosus Partitioning defective 3 protein B 0.0021 0.0171 0.0163
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Echinococcus multilocularis PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Leishmania major cytochrome P450 reductase, putative 0.0727 0.8854 0.8765
Echinococcus multilocularis cell polarity protein leucine rich repeat 0.0021 0.0171 0.0163
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0715 0.0708
Schistosoma mansoni NADPH flavin oxidoreductase 0.0413 0.4996 0.4992
Echinococcus multilocularis syndecan binding protein (syntenin) 0.0021 0.0171 0.0163
Schistosoma mansoni cpg binding protein 0.0032 0.0311 0.0304
Brugia malayi PDZ-domain protein scribble 0.0021 0.0171 0.0141
Echinococcus granulosus PDZ and LIM domain protein Zasp 0.0021 0.0171 0.0163
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0093 0.1062 0.1015
Echinococcus multilocularis disks large 1 0.0021 0.0171 0.0163
Brugia malayi Hypothetical 13.5 kDa protein C45G9.7 in chromosome III 0.0021 0.0171 0.0141
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0021 0.0171 0.0163
Schistosoma mansoni maguk P55 subfamily member 26 0.0021 0.0171 0.0163
Echinococcus granulosus 55 kDa erythrocyte membrane protein 0.0021 0.0171 0.0163
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0821 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.0715 0.0708
Schistosoma mansoni tight junction protein 0.0021 0.0171 0.0163
Echinococcus multilocularis microtubule associated serine:threonine protein 0.0021 0.0171 0.0163
Schistosoma mansoni multiple pdz domain protein 0.0021 0.0171 0.0163
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0021 0.0171 0.0163
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0821 1 1
Echinococcus granulosus methionine synthase reductase 0.0507 0.6142 0.6139
Echinococcus granulosus cpg binding protein 0.0032 0.0311 0.0304
Onchocerca volvulus 0.0051 0.0537 0.4109
Leishmania major NADH-dependent fumarate reductase-like protein 0.0093 0.1062 0.0373
Plasmodium falciparum nitric oxide synthase, putative 0.0821 1 1
Echinococcus multilocularis SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0021 0.0171 0.0141
Schistosoma mansoni afadin (af-6 protein) 0.0021 0.0171 0.0163
Loa Loa (eye worm) guanylate kinase 0.0021 0.0171 0.014
Brugia malayi 9ORF binding protein 1 0.0021 0.0171 0.0141
Echinococcus granulosus glutamate receptor interacting protein 1 0.0021 0.0171 0.0163
Schistosoma mansoni pdz domain containing protein 0.0021 0.0171 0.0163
Schistosoma mansoni sh3 and multiple ankyrin repeat domains protein 12 (shank12) 0.0021 0.0171 0.0163
Echinococcus granulosus multiple pdz domain protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) peripheral plasma membrane protein CASK 0.0021 0.0171 0.014
Brugia malayi CXXC zinc finger family protein 0.0031 0.029 0.0261
Echinococcus multilocularis NADH cytochrome b5 reductase 3 0.0093 0.1062 0.1054
Echinococcus multilocularis partitioning defective 3 0.0021 0.0171 0.0163
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0821 1 1
Loa Loa (eye worm) AGC/MAST/MAST protein kinase 0.0021 0.0171 0.014
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Mycobacterium ulcerans electron transfer protein FdxB 0.0093 0.1062 0.0373
Brugia malayi PDZ domain 0.0021 0.0171 0.0141
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0314 0.3773 0.3033
Brugia malayi RasGEF domain containing protein 0.0021 0.0171 0.0141
Loa Loa (eye worm) hypothetical protein 0.0821 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0821 1 1
Loa Loa (eye worm) PDZ-domain-containing protein scribble 0.0021 0.0171 0.014
Echinococcus granulosus SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Brugia malayi PDZ domain containing protein 0.0021 0.0171 0.0141
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus granulosus ligand of numb protein x 2 0.0021 0.0171 0.0163
Brugia malayi Ferm domain 0.0021 0.0171 0.0141
Echinococcus granulosus cytochrome b5 reductase 4 0.0093 0.1062 0.1054
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Loa Loa (eye worm) PX domain-containing protein 0.0021 0.0171 0.014
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0314 0.3773 0.3033
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2034 0.142
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0821 1 1
Echinococcus multilocularis glutamate receptor interacting protein 1 0.0021 0.0171 0.0163
Loa Loa (eye worm) cell junction protein LIN-7 0.0021 0.0171 0.014
Echinococcus multilocularis PDZ domain containing protein GIPC3 0.0021 0.0171 0.0163
Giardia lamblia Nitric oxide synthase, inducible 0.0727 0.8854 1
Brugia malayi PX domain containing protein 0.0021 0.0171 0.0141
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Schistosoma mansoni leucine-rich repeat protein 0.0021 0.0171 0.0163
Loa Loa (eye worm) PDZ domain-containing protein 0.0021 0.0171 0.014
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0314 0.3773 0.3773
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Schistosoma mansoni maguk P55 subfamily member 35 0.0021 0.0171 0.0163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.4252 0.4252
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.0715 0.0708
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0467 0.0437
Loa Loa (eye worm) FAD binding domain-containing protein 0.0507 0.6142 0.613
Echinococcus granulosus protein lin 7 B 0.0021 0.0171 0.0163
Echinococcus granulosus disks large 1 0.0021 0.0171 0.0163
Echinococcus granulosus segment polarity protein dishevelled 0.0021 0.0171 0.0163
Treponema pallidum flavodoxin 0.0314 0.3773 0.8497
Brugia malayi Shank2E 0.0021 0.0171 0.0141
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0021 0.0171 0.0163
Schistosoma mansoni cell polarity protein 0.0021 0.0171 0.0163
Mycobacterium ulcerans monooxygenase 0.0093 0.1062 0.0373
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.4252 1
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2963 0.2957
Brugia malayi Cytochrome b5-like Heme/Steroid binding domain containing protein 0.0093 0.1062 0.1035
Schistosoma mansoni hypothetical protein 0.0021 0.0171 0.0163
Schistosoma mansoni multiple pdz domain protein 0.0021 0.0171 0.0163
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.0021 0.0171 0.0163
Mycobacterium ulcerans oxidoreductase 0.0093 0.1062 0.0373
Echinococcus granulosus MAGUK p55 subfamily 0.0021 0.0171 0.0163
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni cytochrome P450 reductase 0.0821 1 1
Echinococcus granulosus multiple pdz domain protein 0.0021 0.0171 0.0163
Echinococcus granulosus segment polarity protein dishevelled 0.0021 0.0171 0.0163
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.4252 0.4095
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Toxoplasma gondii flavodoxin domain-containing protein 0.0407 0.4919 1
Echinococcus multilocularis 55 kDa erythrocyte membrane protein 0.0021 0.0171 0.0163
Onchocerca volvulus 0.0093 0.1062 1
Brugia malayi Partitioning defective-6 homolog alpha 0.0021 0.0171 0.0141
Echinococcus granulosus pdz domain containing protein 0.0021 0.0171 0.0163
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0093 0.1062 0.2626
Loa Loa (eye worm) cytochrome b5 reductase 4 0.0093 0.1062 0.1034
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Echinococcus multilocularis SH3 and multiple ankyrin repeat domains protein 0.0021 0.0171 0.0163
Schistosoma mansoni sap-97 0.0021 0.0171 0.0163
Echinococcus multilocularis 0.0021 0.0171 0.0163
Leishmania major oxidoreductase-like protein 0.0093 0.1062 0.0373
Loa Loa (eye worm) hypothetical protein 0.0021 0.0171 0.014
Schistosoma mansoni dishevelled 0.0021 0.0171 0.0163
Brugia malayi hypothetical protein 0.0021 0.0171 0.0141
Loa Loa (eye worm) X11 protein 0.0021 0.0171 0.014
Echinococcus multilocularis partitioning defective 3 0.0021 0.0171 0.0163
Echinococcus granulosus cell polarity protein 0.0021 0.0171 0.0163
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0314 0.3773 0.3033

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.