Detailed information for compound 286965

Basic information

Technical information
  • TDR Targets ID: 286965
  • Name: 3-[(Z)-[1-[(3,5-dichlorobenzoyl)-methylamino] -3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin- 1-yl)piperidin-1-yl]pentan-2-ylidene]amino]ox ypropane-1-sulfonic acid
  • MW: 750.56 | Formula: C32H40Cl4N4O6S
  • H donors: 1 H acceptors: 5 LogP: 3.69 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1cc(Cl)cc(c1)C(=O)N(C/C(=N\OCCCS(=O)(=O)O)/C(c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)N1CCCCC1=O)C
  • InChi: 1S/C32H40Cl4N4O6S/c1-38(32(42)23-17-24(33)20-25(34)18-23)21-30(37-46-15-4-16-47(43,44)45)27(22-6-7-28(35)29(36)19-22)10-14-39-12-8-26(9-13-39)40-11-3-2-5-31(40)41/h6-7,17-20,26-27H,2-5,8-16,21H2,1H3,(H,43,44,45)/b37-30+
  • InChiKey: AEJFLHAKYANRRV-GGFUHWEBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(Z)-[1-[[(3,5-dichlorobenzoyl)-methyl-amino]methyl]-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1-piperidyl)-1-piperidyl]butylidene]amino]oxypropane-1-sulfonic acid
  • 3-[(Z)-[2-(3,4-dichlorophenyl)-1-[[[(3,5-dichlorophenyl)-oxomethyl]-methylamino]methyl]-4-[4-(2-oxo-1-piperidinyl)-1-piperidinyl]butylidene]amino]oxy-1-propanesulfonic acid
  • 3-[(Z)-[3-(3,4-dichlorophenyl)-1-[(3,5-dichlorophenyl)carbonyl-methyl-amino]-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentan-2-ylidene]amino]oxypropane-1-sulfonic acid
  • 3-[(Z)-[1-[[(3,5-dichlorobenzoyl)-methyl-amino]methyl]-2-(3,4-dichlorophenyl)-4-[4-(2-ketopiperidino)piperidino]butylidene]amino]oxypropane-1-sulfonic acid
  • 3-[[1-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentan-2-ylidene]amino]oxypropane-1-sulfonic acid
  • 3-[[1-[[(3,5-dichlorobenzoyl)-methyl-amino]methyl]-2-(3,4-dichlorophenyl)-4-[4-(2-oxo-1-piperidyl)-1-piperidyl]butylidene]amino]oxypropane-1-sulfonic acid
  • 3-[[2-(3,4-dichlorophenyl)-1-[[[(3,5-dichlorophenyl)-oxomethyl]-methylamino]methyl]-4-[4-(2-oxo-1-piperidinyl)-1-piperidinyl]butylidene]amino]oxypropane-1-sulfonic acid
  • 3-[[1-[[(3,5-dichlorobenzoyl)-methyl-amino]methyl]-2-(3,4-dichlorophenyl)-4-[4-(2-keto-1-piperidyl)-1-piperidyl]butylidene]amino]oxypropane-1-sulfonic acid
  • 3-[[3-(3,4-dichlorophenyl)-1-[(3,5-dichlorophenyl)carbonyl-methyl-amino]-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentan-2-ylidene]amino]oxypropane-1-sulfonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tachykinin receptor 1 Starlite/ChEMBL References
Homo sapiens tachykinin receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04224 tachykinin receptor 3, putative Get druggable targets OG5_137770 All targets in OG5_137770
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
Trypanosoma brucei trypanothione reductase 0.01 0.1083 1
Trichomonas vaginalis ap endonuclease, putative 0.004 0.015 0.1022
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.0238 0.034
Schistosoma mansoni tar DNA-binding protein 0.0192 0.2509 0.2509
Echinococcus granulosus endoplasmin 0.0084 0.0821 0.0821
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.015 0.1022
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0061 0.0475 0.0475
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.3244 0.4532
Mycobacterium tuberculosis Probable reductase 0.0229 0.308 0.8859
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0061 0.0475 0.0664
Loa Loa (eye worm) latrophilin receptor protein 2 0.0061 0.0475 0.0664
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.0708 0.099
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0035 0.0064 0.0134
Plasmodium falciparum thioredoxin reductase 0.0035 0.0064 0.0134
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0035 0.0064 0.0589
Echinococcus multilocularis endoplasmin 0.0084 0.0821 0.0821
Trypanosoma cruzi heat shock protein 85, putative 0.0089 0.0906 0.8365
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0181 0.233 0.233
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0064 0.0589
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0238 0.2071
Schistosoma mansoni hypothetical protein 0.0256 0.3503 0.3503
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0657 0.9728 0.9728
Echinococcus granulosus chromobox protein 1 0.0076 0.0708 0.0708
Loa Loa (eye worm) matrixin family protein 0.0401 0.5748 0.8032
Loa Loa (eye worm) TAR-binding protein 0.0192 0.2509 0.3505
Schistosoma mansoni hypothetical protein 0.0061 0.0475 0.0475
Loa Loa (eye worm) heat shock protein 75 0.0059 0.0442 0.0617
Trypanosoma cruzi heat shock protein 90, putative 0.0076 0.0706 0.6521
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.015 0.1384
Loa Loa (eye worm) hypothetical protein 0.0151 0.1868 0.2609
Schistosoma mansoni endoplasmin 0.0089 0.0906 0.0906
Brugia malayi Matrixin family protein 0.0181 0.233 0.3255
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Plasmodium falciparum heat shock protein 90, putative 0.0337 0.4762 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Echinococcus multilocularis chromobox protein 1 0.0076 0.0708 0.0708
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0194 0.2531 0.3536
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.015 0.0209
Echinococcus multilocularis muscleblind protein 0.0151 0.1868 0.1868
Loa Loa (eye worm) glutathione reductase 0.01 0.1083 0.1513
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0059 0.0442 0.3862
Loa Loa (eye worm) hypothetical protein 0.0181 0.233 0.3255
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.015 0.1384
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Schistosoma mansoni hypothetical protein 0.0061 0.0475 0.0475
Trypanosoma cruzi heat shock protein 85, putative 0.0089 0.0906 0.8365
Treponema pallidum heat shock protein 90 0.0084 0.0821 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.015 0.0299
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0035 0.0064 0.0589
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0219 0.0306
Trichomonas vaginalis heat shock protein, putative 0.0076 0.0706 0.7628
Mycobacterium leprae PROBABLE HYDROLASE 0.022 0.2942 0.7984
Echinococcus granulosus mucolipin 3 0.0068 0.0586 0.0586
Loa Loa (eye worm) hypothetical protein 0.0043 0.0188 0.0262
Loa Loa (eye worm) hypothetical protein 0.022 0.2942 0.411
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Plasmodium vivax heat shock protein 86, putative 0.0089 0.0906 0.1902
Schistosoma mansoni tar DNA-binding protein 0.0192 0.2509 0.2509
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0188 0.1472
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Trypanosoma cruzi heat shock protein, putative 0.0059 0.0442 0.408
Loa Loa (eye worm) heat shock protein 90 0.0089 0.0906 0.1265
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0219 0.0306
Echinococcus multilocularis geminin 0.0675 1 1
Brugia malayi Matrixin family protein 0.0181 0.233 0.3255
Plasmodium falciparum thioredoxin reductase 0.01 0.1083 0.2273
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.015 0.015
Plasmodium vivax heat shock protein, putative 0.0337 0.4762 1
Schistosoma mansoni tar DNA-binding protein 0.0192 0.2509 0.2509
Loa Loa (eye worm) hypothetical protein 0.0151 0.1868 0.2609
Trichomonas vaginalis heat shock protein, putative 0.0065 0.0527 0.5498
Toxoplasma gondii heat shock protein HSP90 0.0089 0.0906 0.1902
Leishmania major heat shock protein, putative 0.0059 0.0442 0.408
Trypanosoma brucei heat shock protein 84, putative 0.0059 0.0442 0.408
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0084 0.0821 0.7581
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0035 0.0064 0.0134
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0035 0.0064 0.0134
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0188 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0188 0.1472
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0255 0.3477 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.022 0.2942 0.411
Brugia malayi Muscleblind-like protein 0.0151 0.1868 0.2609
Echinococcus multilocularis GPCR, family 2 0.0061 0.0475 0.0475
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0359 0.5101 0.5101
Plasmodium falciparum heat shock protein 90 0.0089 0.0906 0.1902
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0255 0.3477 1
Schistosoma mansoni endoplasmin 0.0089 0.0906 0.0906
Trypanosoma brucei heat shock protein 90, putative 0.0089 0.0906 0.8365
Onchocerca volvulus Matrix metalloproteinase homolog 0.0401 0.5748 1
Brugia malayi RNA binding protein 0.0192 0.2509 0.3505
Plasmodium falciparum glutathione reductase 0.0035 0.0064 0.0134
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0035 0.0064 0.0089
Schistosoma mansoni ap endonuclease 0.004 0.015 0.015
Brugia malayi chromobox protein homolog 3 0.0043 0.0188 0.0262
Toxoplasma gondii heat shock protein 90, putative 0.0089 0.0906 0.1902
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.01 0.1083 0.3114
Echinococcus granulosus muscleblind protein 0.0151 0.1868 0.1868
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0219 0.0219
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0192 0.2509 0.3505
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Schistosoma mansoni hypothetical protein 0.0061 0.0475 0.0475
Trypanosoma cruzi trypanothione reductase, putative 0.0035 0.0064 0.0589
Loa Loa (eye worm) mucolipin 1 0.0068 0.0586 0.0819
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0059 0.0442 0.0697
Loa Loa (eye worm) endoplasmin 0.0089 0.0906 0.1265
Brugia malayi Matrixin family protein 0.0437 0.631 0.8816
Mycobacterium ulcerans heat shock protein 90 0.0084 0.0821 0.263
Echinococcus granulosus heat shock protein 90 0.0076 0.0706 0.0706
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Echinococcus granulosus thioredoxin glutathione reductase 0.01 0.1083 0.1083
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.015 0.015
Trypanosoma brucei Heat shock protein 83, putative 0.0089 0.0906 0.8365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0219 0.0219
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Plasmodium vivax heat shock protein 90, putative 0.0059 0.0442 0.0928
Trichomonas vaginalis heat shock protein, putative 0.0089 0.0906 1
Schistosoma mansoni tar DNA-binding protein 0.0192 0.2509 0.2509
Loa Loa (eye worm) matrix metalloproteinase 0.0181 0.233 0.3255
Entamoeba histolytica hypothetical protein 0.0074 0.0674 0.6935
Trypanosoma cruzi Heat shock protein 83, putative 0.0089 0.0906 0.8365
Brugia malayi Thioredoxin reductase 0.01 0.1083 0.1513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0219 0.0219
Brugia malayi latrophilin 2 splice variant baaae 0.0132 0.1579 0.2207
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0492 0.7157 1
Brugia malayi heat shock protein 90 0.0089 0.0906 0.1265
Brugia malayi Latrophilin receptor protein 2 0.0061 0.0475 0.0664
Echinococcus granulosus tar DNA binding protein 0.0192 0.2509 0.2509
Loa Loa (eye worm) hypothetical protein 0.0061 0.0475 0.0664
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0359 0.5101 0.5101
Schistosoma mansoni mucolipin 0.0063 0.0497 0.0497
Echinococcus granulosus chromobox protein 1 0.0076 0.0708 0.0708
Schistosoma mansoni hypothetical protein 0.0061 0.0475 0.0475
Plasmodium falciparum glutathione reductase 0.01 0.1083 0.2273
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0229 0.308 0.8859
Onchocerca volvulus Matrilysin homolog 0.0401 0.5748 1
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0708 0.7657
Mycobacterium tuberculosis Probable oxidoreductase 0.0255 0.3477 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0219 0.0219
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0821 0.8991
Giardia lamblia Heat shock protein HSP 90-alpha 0.0076 0.0706 0.7628
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0035 0.0064 0.0589
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0064 0.0589
Giardia lamblia Heat shock protein HSP 90-alpha 0.0089 0.0906 1
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Echinococcus granulosus heat shock protein 90 0.0089 0.0906 0.0906
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0229 0.308 0.8506
Trypanosoma cruzi heat shock protein 85, putative 0.0089 0.0906 0.8365
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0035 0.0064 0.0064
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0035 0.0064 0.0134
Plasmodium vivax thioredoxin reductase, putative 0.01 0.1083 0.2273
Brugia malayi Matrixin family protein 0.0181 0.233 0.3255
Leishmania major trypanothione reductase 0.01 0.1083 1
Toxoplasma gondii thioredoxin reductase 0.01 0.1083 0.2273
Toxoplasma gondii NADPH-glutathione reductase 0.0035 0.0064 0.0134
Mycobacterium ulcerans hydrolase 0.022 0.2942 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0229 0.308 0.8859
Trypanosoma cruzi heat shock protein 90, putative 0.0089 0.0906 0.8365
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0219 0.0219
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.015 0.0315
Entamoeba histolytica hypothetical protein 0.0074 0.0674 0.6935
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1868 0.1868
Brugia malayi Heterochromatin protein 1 0.0076 0.0708 0.099
Schistosoma mansoni hypothetical protein 0.0675 1 1
Brugia malayi hypothetical protein 0.0074 0.0674 0.0942
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Echinococcus granulosus heat shock protein 0.0089 0.0906 0.0906
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0674 0.0674
Schistosoma mansoni chromobox protein 0.0076 0.0708 0.0708
Entamoeba histolytica hypothetical protein 0.0074 0.0674 0.6935
Plasmodium falciparum endoplasmin, putative 0.0065 0.0527 0.1106
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0229 0.308 0.8859
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0674 0.0674
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0674 0.0674
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.3244 0.4532
Schistosoma mansoni mucolipin 0.0068 0.0586 0.0586
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0219 0.0219
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0035 0.0064 0.0183
Onchocerca volvulus 0.0181 0.233 0.4007
Loa Loa (eye worm) hypothetical protein 0.0132 0.1579 0.2207
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Echinococcus multilocularis heat shock protein 90 0.0076 0.0706 0.0706
Plasmodium vivax endoplasmin, putative 0.0089 0.0906 0.1902
Trypanosoma cruzi heat shock protein 90, putative 0.0037 0.0102 0.0943
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0035 0.0064 0.0589
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.015 0.1137
Plasmodium falciparum heat shock protein 90, putative 0.0052 0.0327 0.0686
Brugia malayi Hemopexin family protein 0.0256 0.3503 0.4894
Echinococcus granulosus GPCR family 2 0.0061 0.0475 0.0475
Echinococcus multilocularis heat shock protein 0.0089 0.0906 0.0906
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0229 0.308 0.8859
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Onchocerca volvulus 0.0256 0.3503 0.6064
Trichomonas vaginalis ap endonuclease, putative 0.004 0.015 0.1022
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.015 0.1384
Toxoplasma gondii exonuclease III APE 0.004 0.015 0.0315
Schistosoma mansoni hypothetical protein 0.0675 1 1
Toxoplasma gondii heat shock protein 75, putative 0.0059 0.0442 0.0928
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Schistosoma mansoni ap endonuclease 0.004 0.015 0.015
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Trichomonas vaginalis endoplasmin, putative 0.0065 0.0527 0.5498
Echinococcus multilocularis heat shock protein 90 0.0089 0.0906 0.0906
Brugia malayi TAR-binding protein 0.0192 0.2509 0.3505
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0084 0.0821 0.236
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0076 0.0706 0.0706
Loa Loa (eye worm) hypothetical protein 0.0034 0.0044 0.0062
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0059 0.0442 0.0442
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0255 0.3477 1
Loa Loa (eye worm) hypothetical protein 0.0492 0.7157 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Loa Loa (eye worm) hypothetical protein 0.0181 0.233 0.3255
Schistosoma mansoni heat shock protein 0.0089 0.0906 0.0906
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0035 0.0064 0.0064
Schistosoma mansoni chromobox protein 0.0076 0.0708 0.0708
Schistosoma mansoni heat shock protein 0.0059 0.0442 0.0442
Trypanosoma brucei heat shock protein, putative 0.0089 0.0906 0.8365
Toxoplasma gondii Hsp90 domain-containing protein 0.0337 0.4762 1
Brugia malayi Coelomocyte uptake defective protein 5 0.0068 0.0586 0.0819
Trypanosoma brucei heat shock protein 90, putative 0.0089 0.0906 0.8365
Trichomonas vaginalis heat shock protein, putative 0.0084 0.0821 0.8991
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.015 0.0431
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Schistosoma mansoni tar DNA-binding protein 0.0192 0.2509 0.2509
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0059 0.0442 0.0442
Loa Loa (eye worm) RNA binding protein 0.0192 0.2509 0.3505
Trichomonas vaginalis chromobox protein, putative 0.0046 0.0238 0.2071
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0035 0.0064 0.0134
Brugia malayi MH2 domain containing protein 0.024 0.3244 0.4532
Trypanosoma cruzi heat shock protein 85, putative 0.0076 0.0706 0.6521
Echinococcus multilocularis mucolipin 3 0.0068 0.0586 0.0586
Schistosoma mansoni hypothetical protein 0.0132 0.1579 0.1579
Loa Loa (eye worm) matrixin family protein 0.0437 0.631 0.8816
Onchocerca volvulus Matrilysin homolog 0.0181 0.233 0.4007
Brugia malayi Hsp90 protein 0.0059 0.0442 0.0617
Trichomonas vaginalis chromobox protein, putative 0.0076 0.0708 0.7657
Loa Loa (eye worm) thioredoxin reductase 0.01 0.1083 0.1513
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.015 0.0315
Trichomonas vaginalis heat shock protein, putative 0.0052 0.0327 0.3126
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0657 0.9728 0.9728
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.015 0.1384
Trypanosoma cruzi trypanothione reductase, putative 0.01 0.1083 1
Entamoeba histolytica heat shock protein 90, putative 0.0089 0.0906 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0035 0.0064 0.0589
Brugia malayi RNA recognition motif domain containing protein 0.0192 0.2509 0.3505
Brugia malayi Matrixin family protein 0.0181 0.233 0.3255
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0035 0.0064 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.01 0.1083 0.1083
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0035 0.0064 0.0064
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Echinococcus multilocularis tar DNA binding protein 0.0192 0.2509 0.2509
Leishmania major heat shock protein 83-1 0.0089 0.0906 0.8365
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0229 0.308 0.8859
Loa Loa (eye worm) hypothetical protein 0.0181 0.233 0.3255
Schistosoma mansoni hypothetical protein 0.0074 0.0674 0.0674
Echinococcus multilocularis chromobox protein 1 0.0076 0.0708 0.0708
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0035 0.0064 0.0589
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0035 0.0064 0.0589
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0084 0.0821 1
Brugia malayi glutathione reductase 0.01 0.1083 0.1513
Entamoeba histolytica hypothetical protein 0.0074 0.0674 0.6935
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0061 0.0475 0.0475
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.015 0.0209
Giardia lamblia Grp94/Hsp90 0.0084 0.0821 0.8991
Plasmodium vivax glutathione reductase, putative 0.01 0.1083 0.2273
Schistosoma mansoni heat shock protein 0.0089 0.0906 0.0906
Entamoeba histolytica heat shock protein 90, putative 0.0089 0.0906 1
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.022 0.2942 0.846
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0219 0.0219
Brugia malayi Calcitonin receptor-like protein seb-1 0.0194 0.2531 0.3536
Brugia malayi Endoplasmin precursor 0.0089 0.0906 0.1265
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.015 0.1137

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.7 nM Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as a radioligand ChEMBL. 11859013
Ki (binding) = 2.7 nM Binding affinity against recombinant human tachykinin receptor 2 in CHO cells using [3H]-NKA as a radioligand ChEMBL. 11859013
Ki (binding) = 3.3 nM Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand ChEMBL. 11859013
Ki (binding) = 3.3 nM Binding affinity against recombinant human tachykinin receptor 1 in CHO cells using [3H]-Sar SP as a radioligand ChEMBL. 11859013

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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