Detailed information for compound 4710

Basic information

Technical information
  • TDR Targets ID: 4710
  • Name: N'-butyl-4-[4-[4-(N'-butylcarbamimidoyl)pheny l]-1,4-diazepan-1-yl]benzenecarboximidamide
  • MW: 448.647 | Formula: C27H40N6
  • H donors: 2 H acceptors: 0 LogP: 5.23 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=N)c1ccc(cc1)N1CCCN(CC1)c1ccc(cc1)C(=N)NCCCC
  • InChi: 1S/C27H40N6/c1-3-5-16-30-26(28)22-8-12-24(13-9-22)32-18-7-19-33(21-20-32)25-14-10-23(11-15-25)27(29)31-17-6-4-2/h8-15H,3-7,16-21H2,1-2H3,(H2,28,30)(H2,29,31)
  • InChiKey: QUYQIACDGIMYCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-butyl-4-[4-[4-(N'-butylcarbamimidoyl)phenyl]-1,4-diazepan-1-yl]benzamidine
  • 4-[4-[4-[amino(butylimino)methyl]phenyl]-1,4-diazepan-1-yl]-N'-butylbenzamidine
  • N'-butyl-4-[4-[4-(N'-butylamidino)phenyl]-1,4-diazepan-1-yl]benzamidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512672 0.049011 0.0367577
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00512672 0.049011 0.038845
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0127521 0.312661 0.300336
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.00483574 0.03895 0.0217172
Loa Loa (eye worm) hypothetical protein 0.00483574 0.03895 0.0263968
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.00561962 0.066053 0.0448251
Echinococcus granulosus solute carrier family 28 0.0326315 1 1
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127521 0.312661 0.693472
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127521 0.312661 0.693472
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.00730578 0.124353 0.132064
Echinococcus multilocularis GMP synthase (glutamine hydrolyzing) 0.00702961 0.114804 0.0989314
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512672 0.049011 0.0367577
Brugia malayi Nucleoside transporter family protein 0.00483574 0.03895 0.047164
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.00483574 0.03895 0.0217172
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00512672 0.049011 0.114192
Loa Loa (eye worm) phosphatidylinositol 3 0.0275944 0.825842 1
Mycobacterium tuberculosis Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.00481041 0.0380743 0.5
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0127521 0.312661 0.300336
Echinococcus granulosus adenosine kinase 0.0161226 0.429199 0.418964
Brugia malayi prolyl oligopeptidase family protein 0.00561962 0.066053 0.0799826
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512672 0.049011 0.104968
Plasmodium falciparum phosphatidylinositol 4-kinase 0.00643679 0.0943071 0.171804
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.00561962 0.066053 0.0448251
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.00561962 0.066053 0.153898
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127521 0.312661 0.728475
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.00851963 0.166322 0.183991
Loa Loa (eye worm) hypothetical protein 0.00851963 0.166322 0.183991
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0127521 0.312661 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.00851963 0.166322 0.151373
Brugia malayi Dopamine receptor protein 1 0.00421869 0.0176154 0.0213303
Trypanosoma cruzi adenosine kinase, putative 0.0161226 0.429199 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.00421869 0.0176154 0.0213303
Echinococcus multilocularis 0.00643679 0.0943071 0.0780668
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512672 0.049011 0.0593467
Loa Loa (eye worm) hypothetical protein 0.0275944 0.825842 1
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0127521 0.312661 0.300336
Schistosoma mansoni adenosine kinase 0.0161226 0.429199 0.509243
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0275944 0.825842 0.822719
Echinococcus multilocularis solute carrier family 28 0.0326315 1 1
Brugia malayi ORL1-like opioid receptor 0.00421869 0.0176154 0.0213303
Brugia malayi GMP synthase 0.00702961 0.114804 0.139015
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Loa Loa (eye worm) hypothetical protein 0.0161226 0.429199 0.509243
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.00423244 0.0180906 0.0219057
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512672 0.049011 0.104968
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512672 0.049011 0.0593467
Brugia malayi hypothetical protein 0.00442247 0.0246612 0.0298619
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512672 0.049011 0.0367577
Plasmodium vivax GMP synthetase, putative 0.00702961 0.114804 0.249548
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.00730578 0.124353 0.19817
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00730578 0.124353 0.289733
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.00512672 0.049011 0.0367577
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.00421869 0.0176154 0.0213303
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0275944 0.825842 0.822719
Brugia malayi Dopamine receptor 0.00421869 0.0176154 0.0213303
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00839531 0.162024 0.297256
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0127521 0.312661 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.00421869 0.0176154 0.0213303
Brugia malayi Tachykinin-like peptides receptor 99D 0.00421869 0.0176154 0.0213303
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.00512672 0.049011 0.0319585
Loa Loa (eye worm) phosphatidylinositol 3 0.0275944 0.825842 1
Mycobacterium leprae Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH) 0.00481041 0.0380743 0.5
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 0.728475
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.00512672 0.049011 0.114192
Echinococcus granulosus GMP synthase glutamine hydrolyzing 0.00702961 0.114804 0.0989314
Onchocerca volvulus 0.0275944 0.825842 1
Toxoplasma gondii kinase, pfkB family protein 0.0161226 0.429199 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00512672 0.049011 0.038845
Brugia malayi prolyl oligopeptidase family protein 0.0170443 0.461068 0.558301
Brugia malayi sulfakinin receptor protein 0.00421869 0.0176154 0.0213303
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Loa Loa (eye worm) prolyl oligopeptidase 0.0170443 0.461068 0.548674
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0213023 0.60829 0.601266
Trypanosoma brucei adenosine kinase, putative 0.0161226 0.429199 1
Loa Loa (eye worm) phosphatidylinositol 3 0.00643679 0.0943071 0.0948888
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0326315 1 1
Brugia malayi Serotonin receptor 0.00421869 0.0176154 0.0213303
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.00643679 0.0943071 0.219728
Loa Loa (eye worm) phosphatidylinositol 3 0.00512672 0.049011 0.038845
Leishmania major GMP synthase, putative,glutamine amidotransferase, putative 0.00702961 0.114804 0.173054
Echinococcus granulosus equilibrative nucleoside transporter 3 0.00483574 0.03895 0.0217172
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0127521 0.312661 0.378596
Plasmodium falciparum GMP synthase [glutamine-hydrolyzing] 0.00702961 0.114804 0.249548
Echinococcus granulosus Dipeptidyl peptidase 9 0.00561962 0.066053 0.0493061
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.00643679 0.0943071 0.0780668
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Brugia malayi neuropeptide F receptor 0.00421869 0.0176154 0.0213303
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0170443 0.461068 0.548674
Loa Loa (eye worm) hypothetical protein 0.00702961 0.114804 0.120249
Giardia lamblia Phosphatidylinositol 4-kinase 0.00643679 0.0943071 0.202247
Brugia malayi gonadotropin-releasing hormone receptor 2 0.00421869 0.0176154 0.0213303
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0127521 0.312661 1
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.00483574 0.03895 0.0263968
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.00512672 0.049011 0.0367577
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.00561962 0.066053 0.0448251
Trypanosoma cruzi adenosine kinase, putative 0.0161226 0.429199 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Brugia malayi RE15519p 0.00421869 0.0176154 0.0213303
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127521 0.312661 0.365053
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127521 0.312661 0.365053
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.00561962 0.066053 0.0448251
Echinococcus multilocularis Dipeptidyl peptidase 9 0.00561962 0.066053 0.0493061
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.00561962 0.066053 0.0599306
Brugia malayi G protein-coupled receptor 0.00421869 0.0176154 0.0213303
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.00512672 0.049011 0.104968
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.00512672 0.049011 0.0319585
Leishmania major phosphatidylinositol 4-kinase, putative 0.00643679 0.0943071 0.119141
Trypanosoma brucei GMP synthase [glutamine-hydrolysing] 0.00702961 0.114804 0.173054
Loa Loa (eye worm) hypothetical protein 0.00483574 0.03895 0.0263968
Trypanosoma brucei adenosine kinase, putative 0.0161226 0.429199 1
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.00643679 0.0943071 0.171804
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.00483574 0.03895 0.0263968
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00730578 0.124353 0.360737
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483574 0.03895 0.070813
Schistosoma mansoni adenosine kinase 0.0161226 0.429199 0.509243
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794165 0.146338 0.340957
Brugia malayi G protein-coupled receptor F59B2.13 0.00421869 0.0176154 0.0213303
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Echinococcus granulosus equilibrative nucleoside transporter 0.00483574 0.03895 0.0217172
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0275944 0.825842 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 0.728475
Onchocerca volvulus 0.0146388 0.377896 0.445767
Brugia malayi AKH receptor 0.00421869 0.0176154 0.0213303
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127521 0.312661 0.365053
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.00561962 0.066053 0.153898
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0275944 0.825842 0.822719
Brugia malayi putative neuropeptide receptor NPR1 0.00421869 0.0176154 0.0213303
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.00512672 0.049011 0.038845
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.00643679 0.0943071 0.119141
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.00851963 0.166322 0.183991
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0170443 0.461068 0.451404
Schistosoma mansoni GMP synthetase 0.00702961 0.114804 0.120249
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.00643679 0.0943071 0.219728
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0127521 0.312661 0.693472
Brugia malayi neuropeptide F receptor 0.00421869 0.0176154 0.0213303
Brugia malayi putative neuropeptide receptor 0.00421869 0.0176154 0.0213303
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Brugia malayi Melatonin receptor type 1A 0.00421869 0.0176154 0.0213303
Entamoeba histolytica hypothetical protein 0.00512672 0.049011 0.0367577
Echinococcus multilocularis adenosine kinase 0.0161226 0.429199 0.418964
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0170443 0.461068 0.548674
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512672 0.049011 0.0367577
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.00794165 0.146338 0.255998
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.00851963 0.166322 0.503213
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.00512672 0.049011 0.0367577
Brugia malayi larval opioid receptor 0.00421869 0.0176154 0.0213303
Loa Loa (eye worm) phosphatidylinositol kinase 0.0275944 0.825842 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0275944 0.825842 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483574 0.03895 0.070813
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.00730578 0.124353 0.108651
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.00534726 0.0566361 0.0200561
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 0.728475
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.00512672 0.049011 0.104968
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0127521 0.312661 0.5
Brugia malayi G-protein coupled receptor 0.00421869 0.0176154 0.0213303
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00512672 0.049011 0.104968
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483574 0.03895 0.070813
Echinococcus multilocularis Zinc finger, PHD finger 0.00512672 0.049011 0.0319585
Brugia malayi Serotonin receptor 0.00421869 0.0176154 0.0213303
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0127521 0.312661 0.693472
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794165 0.146338 0.255998
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.00512672 0.049011 0.0319585
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0326315 1 1
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Onchocerca volvulus 0.0275944 0.825842 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0170443 0.461068 0.451404
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127521 0.312661 0.693472
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Loa Loa (eye worm) hypothetical protein 0.00483574 0.03895 0.0263968
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0127521 0.312661 0.5
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.00512672 0.049011 0.0319585
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.00851963 0.166322 0.503213
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.00730578 0.124353 0.19817
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.00730578 0.124353 0.108651
Brugia malayi follicle stimulating hormone receptor 0.00421869 0.0176154 0.0213303
Leishmania major adenosine kinase, putative 0.0161226 0.429199 1
Loa Loa (eye worm) hypothetical protein 0.00512672 0.049011 0.038845
Trypanosoma cruzi GMP synthase [glutamine-hydrolysing] 0.00590858 0.0760439 0.177176
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0127521 0.312661 0.693472
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.00904285 0.184413 0.206374
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0127521 0.312661 0.728475
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.00512672 0.049011 0.114192
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.00794165 0.146338 0.392343
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00512672 0.049011 0.0593467
Toxoplasma gondii bifunctional GMP synthase/glutamine amidotransferase protein 0.00702961 0.114804 0.173054
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00512672 0.049011 0.104968
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.00512672 0.049011 0.104968
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.00730578 0.124353 0.312019
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.00904285 0.184413 0.206374
Brugia malayi hypothetical protein 0.00483574 0.03895 0.047164
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.00643679 0.0943071 0.114195
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.00730578 0.124353 0.360737
Brugia malayi Dopamine receptor protein 2 0.00421869 0.0176154 0.0213303
Loa Loa (eye worm) hypothetical protein 0.00442247 0.0246612 0.00871755
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.00512672 0.049011 0.104968
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.00483574 0.03895 0.070813
Brugia malayi G-protein coupled receptor 0.00421869 0.0176154 0.0213303
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0127521 0.312661 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0275944 0.825842 0.822719
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.00730578 0.124353 0.150577
Brugia malayi Adenosine kinase-like 0.0161226 0.429199 0.519711
Schistosoma mansoni phosphatidylinositol 4-kinase 0.00643679 0.0943071 0.0948888
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.00512672 0.049011 0.0319585
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.00512672 0.049011 0.104968
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0127521 0.312661 0.693472
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0326315 1 1
Brugia malayi hypothetical protein 0.00421869 0.0176154 0.0213303
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0275944 0.825842 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.00794165 0.146338 0.340957
Schistosoma mansoni phosphatidylinositol 4-kinase 0.00730578 0.124353 0.132064
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127521 0.312661 0.728475
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0127521 0.312661 0.728475
Brugia malayi GnHR receptor homolog 0.00421869 0.0176154 0.0213303
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.00851963 0.166322 0.151373
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0127521 0.312661 0.365053
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.00730578 0.124353 0.289733
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0127521 0.312661 0.300336
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0127521 0.312661 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.00421869 0.0176154 0.0213303

Activities

Activity type Activity value Assay description Source Reference
Change in No. of trophozoites x 10E-5 (functional) = 19.19 Anti-P. carinii activity determined as change in number of P. carinii trophozoites from day 1 through day 7 in culture at 1 microM ChEMBL. 11591500
Change in Tm (binding) = 11.8 degrees C Binding affinity of the compound for calf thymus DNA measured as change in melting temperature ChEMBL. 11591500
Change in Tm (binding) = 13.3 degrees C Binding affinity of the compound for Poly (dA-dT) measured as change in melting temperature ChEMBL. 11591500
DNA binding (binding) = 11.8 degrees C DNA binding affinity using calf thymus DNA. ChEMBL. 12620080
DNA binding (binding) = 13.3 degrees C DNA binding affinity using poly(dA-dT). ChEMBL. 12620080
GI50 (ADMET) = 6.4 Growth inhibition of Homo sapiens (human) MALME-3M cells after 48 hr by SRB assay ChEMBL. No reference
Growth (functional) = 58 % Percent of control growth of P. carinii trophozoites was determined ChEMBL. 11591500
IC50 (binding) Displacement of [3H]-ifenprodil from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine ChEMBL. 26117647
IC50 (functional) = 78 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) ChEMBL. 12620080
IC50 (functional) = 78 nM In vitro inhibitory concentration of the compound against mouse infected with Trypanosoma brucei rhodesiense (kETRI 243As-10-3) ChEMBL. 12620080
IC50 (functional) = 79 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). ChEMBL. 12620080
IC50 (functional) = 79 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei rhodesiense (KETRI 243). ChEMBL. 12620080
IC50 (functional) = 180 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). ChEMBL. 12620080
IC50 (functional) = 180 nM In vitro inhibitory concentration against mice infected with Trypanosoma brucei pentamidine-sensitive strain (EATRO Lab 110). ChEMBL. 12620080
IC50 (binding) = 9.94 uM Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in absence of spermine ChEMBL. 26117647
IC50 (binding) = 103 uM Displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor by beta counting analysis in presence of 30 uM spermine ChEMBL. 26117647
Ratio IC50 (binding) = 11.2 Ratio of IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in presence of 30 uM spermine to IC50 for displacement of [3H]-MK-801 from rat cortical membranes NMDA receptor in absence of 30 spermine ChEMBL. 26117647

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 12620080
Trypanosoma brucei ChEMBL23 12620080

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

2 literature references were collected for this gene.

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