Detailed information for compound 143587

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.548 | Formula: C25H32N4
  • H donors: 1 H acceptors: 1 LogP: 5.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(nc1)N1CCN(CC1)CC[C@@H]1CC[C@@H](CC1)c1c[nH]c2c1cccc2
  • InChi: 1S/C25H32N4/c1-2-6-24-22(5-1)23(19-27-24)21-10-8-20(9-11-21)12-14-28-15-17-29(18-16-28)25-7-3-4-13-26-25/h1-7,13,19-21,27H,8-12,14-18H2/t20-,21+
  • InChiKey: WKRNNVUISXJKDT-OYRHEFFESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL 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
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0085 0.0807 0.091
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0181 0.2227 0.2513
Onchocerca volvulus 0.0094 0.094 0.1423
Echinococcus granulosus geminin 0.054 0.7534 0.7534
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0134 0.0026
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0044 0.0195 0.022
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0656 0.9252 1
Echinococcus granulosus carbonic anhydrase 0.0085 0.0807 0.0807
Schistosoma mansoni carbonic anhydrase-related 0.0085 0.0807 0.0807
Brugia malayi Heterochromatin protein 1 0.0069 0.0569 0.0641
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.118 0.2822
Mycobacterium tuberculosis Probable reductase 0.009 0.0884 0.0847
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1451 0.1451
Onchocerca volvulus Matrilysin homolog 0.0161 0.1924 0.3133
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.011 0.0125
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0146 0.171 0.175
Brugia malayi Matrixin family protein 0.0161 0.1924 0.2171
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0011 0.0011
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0011
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0011 0.0013
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.1034 0.0957
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2271 0.2271
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0256 0.0448
Trypanosoma brucei phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Loa Loa (eye worm) phosphofructokinase 0.011 0.118 0.1332
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0011 0.0013
Leishmania major DNA polymerase kappa, putative 0.0061 0.0444 0.1688
Entamoeba histolytica fatty acid elongase, putative 0.0085 0.0808 0.1866
Brugia malayi ImpB/MucB/SamB family protein 0.008 0.0728 0.0821
Mycobacterium ulcerans phosphoglycerate kinase 0.0173 0.2104 0.2181
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.118 0.117
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.011 0.0133
Echinococcus granulosus GPCR family 2 0.0031 0.0011 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.118 0.2822
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0256 0.0448
Loa Loa (eye worm) hypothetical protein 0.0068 0.0549 0.0619
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.27 0.3046
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0539 0.2132
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0163 0.0075
Onchocerca volvulus 0.0042 0.0167 0.0082
Echinococcus granulosus dna polymerase kappa 0.0081 0.0744 0.0744
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0054 0.0345 0.0345
Trypanosoma brucei DNA polymerase IV, putative 0.0081 0.0744 0.3087
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0173 0.2104 1
Giardia lamblia Kinase, PLK 0.0097 0.0979 0.2247
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0146 0.171 0.175
Plasmodium falciparum carbonic anhydrase 0.0085 0.0807 0.0762
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.0979 0.4179
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0656 0.9252 1
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0134 0.0151
Brugia malayi Matrixin family protein 0.0161 0.1924 0.2171
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0452 0.0452
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0184 0.2271 0.2271
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.2227 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0142 0.0142
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0129 0.1451 0.1637
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0569 0.125
Leishmania major trypanothione reductase 0.004 0.0134 0.0242
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0656 0.9252 1
Schistosoma mansoni hypothetical protein 0.054 0.7534 0.7534
Leishmania major phosphoglycerate kinase C, glycosomal 0.0173 0.2104 0.9425
Schistosoma mansoni hypothetical protein 0.0085 0.0807 0.0807
Trypanosoma brucei phosphoglycerate kinase 0.0173 0.2104 0.9425
Brugia malayi hypothetical protein 0.0145 0.1699 0.1917
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0656 0.9252 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0011 0.0011
Brugia malayi RNA recognition motif domain containing protein 0.0129 0.1451 0.1637
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.0979 0.1491
Schistosoma mansoni alpha glucosidase 0.0036 0.0082 0.0082
Plasmodium falciparum phosphoglycerate kinase 0.0173 0.2104 0.2181
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0173 0.2104 0.2181
Trypanosoma cruzi DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.118 0.2769
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0085 0.0807 0.091
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1451 0.1451
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0085 0.0807 0.091
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Loa Loa (eye worm) matrixin family protein 0.0356 0.4819 0.5436
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0539 0.2132
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.011 0.011
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0173 0.2104 0.2181
Brugia malayi Matrixin family protein 0.0161 0.1924 0.2171
Schistosoma mansoni microtubule-associated protein tau 0.0706 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Entamoeba histolytica fatty acid elongase, putative 0.0085 0.0808 0.1866
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.011 0.0133
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0656 0.925 0.925
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0085 0.0807 0.091
Toxoplasma gondii hypothetical protein 0.0085 0.0807 0.3834
Echinococcus granulosus carbonic anhydrase 0.0085 0.0807 0.0807
Schistosoma mansoni hypothetical protein 0.0036 0.0084 0.0084
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.118 0.1332
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0539 0.0539
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.1034 0.101
Trypanosoma brucei carbonic anhydrase-like protein 0.0181 0.2227 1
Entamoeba histolytica fatty acid elongase, putative 0.0085 0.0808 0.1866
Loa Loa (eye worm) hypothetical protein 0.0196 0.2442 0.2755
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0011
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.118 0.2822
Brugia malayi glutathione reductase 0.004 0.0134 0.0151
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.011 0.0073
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0181 0.2227 0.2513
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0197 0.0535
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1451 0.1451
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0656 0.9252 1
Brugia malayi 6-phosphofructokinase 0.011 0.118 0.1332
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.0884 0.0847
Trichomonas vaginalis set domain proteins, putative 0.0242 0.3136 0.7845
Loa Loa (eye worm) RNA binding protein 0.0129 0.1451 0.1637
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0452 0.0374
Onchocerca volvulus 0.0242 0.3136 0.5235
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0054 0.0345 0.0345
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0011 0.0011
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.0979 0.4179
Leishmania major ATP-dependent phosphofructokinase 0.011 0.118 0.512
Trypanosoma cruzi DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.0884 0.0847
Brugia malayi hypothetical protein 0.0036 0.0084 0.0094
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0656 0.9252 1
Echinococcus granulosus 6 phosphofructokinase 0.011 0.118 0.118
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0173 0.2104 0.7828
Plasmodium falciparum thioredoxin reductase 0.004 0.0134 0.0026
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0067 0.0539 0.1175
Schistosoma mansoni DNA polymerase eta 0.008 0.0728 0.0728
Echinococcus multilocularis chromobox protein 1 0.0069 0.0569 0.0569
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0082 0.0092
Trypanosoma brucei phosphoglycerate kinase 0.0063 0.0486 0.1884
Entamoeba histolytica phosphofructokinase, putative 0.011 0.118 0.2822
Echinococcus multilocularis carbonic anhydrase 0.0085 0.0807 0.0807
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.011 0.0133
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0082 0.0082
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0452 0.0374
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0184 0.2271 0.2562
Leishmania major DNA polymerase eta, putative 0.0043 0.0178 0.0447
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.3975 1
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1451 0.1451
Loa Loa (eye worm) matrix metalloproteinase 0.0161 0.1924 0.2171
Giardia lamblia Phosphoglycerate kinase 0.0173 0.2104 0.5159
Mycobacterium ulcerans hydrolase 0.0196 0.2442 0.2551
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0232 0.2986 0.2986
Echinococcus multilocularis tar DNA binding protein 0.0129 0.1451 0.1451
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.0167 0.0167
Loa Loa (eye worm) hypothetical protein 0.0173 0.2104 0.2374
Echinococcus multilocularis carbonic anhydrase 0.0085 0.0807 0.0807
Schistosoma mansoni carbonic anhydrase-related 0.0085 0.0807 0.0807
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.0979 0.4179
Brugia malayi Hemopexin family protein 0.0228 0.2918 0.3291
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1012 0.1142
Trypanosoma brucei DNA polymerase eta, putative 0.008 0.0728 0.3009
Brugia malayi RNA binding protein 0.0129 0.1451 0.1637
Entamoeba histolytica hypothetical protein 0.0036 0.0084 0.0005
Onchocerca volvulus 0.0161 0.1924 0.3133
Brugia malayi Thioredoxin reductase 0.004 0.0134 0.0151
Loa Loa (eye worm) hypothetical protein 0.0161 0.1924 0.2171
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0173 0.2104 0.9425
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0082 0.0768 0.0768
Trypanosoma brucei trypanothione reductase 0.004 0.0134 0.0242
Schistosoma mansoni carbonic anhydrase 0.0085 0.0807 0.0807
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0011
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Trypanosoma brucei unspecified product 0.0074 0.0645 0.2626
Trypanosoma brucei DNA polymerase IV, putative 0.0074 0.0645 0.2626
Echinococcus granulosus tar DNA binding protein 0.0129 0.1451 0.1451
Loa Loa (eye worm) MH2 domain-containing protein 0.0233 0.299 0.3373
Mycobacterium leprae PROBABLE HYDROLASE 0.0196 0.2442 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0299 0.3975 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.2227 0.2227
Schistosoma mansoni alpha-glucosidase 0.014 0.1619 0.1619
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Onchocerca volvulus Huntingtin homolog 0.0145 0.1699 0.2742
Trypanosoma brucei unspecified product 0.0037 0.0098 0.0073
Echinococcus multilocularis chromobox protein 1 0.0069 0.0569 0.0569
Entamoeba histolytica phosphofructokinase, putative 0.011 0.118 0.2822
Loa Loa (eye worm) hypothetical protein 0.0099 0.1012 0.1142
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.0884 0.0847
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.118 0.117
Schistosoma mansoni phosphoglycerate kinase 0.0173 0.2104 0.2104
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.1954 0.1954
Brugia malayi Matrixin family protein 0.046 0.6355 0.717
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0061 0.0444 0.1688
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0539 0.2132
Leishmania major DNA polymerase eta, putative 0.008 0.0728 0.3009
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0178 0.0447
Brugia malayi Pre-SET motif family protein 0.0213 0.27 0.3046
Leishmania major carbonic anhydrase-like protein 0.0181 0.2227 1
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.011 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0181 0.2227 0.2227
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0173 0.2104 0.9425
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.011 0.0119
Entamoeba histolytica phosphoglycerate kinase, putative 0.0173 0.2104 0.5195
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0539 0.2132
Treponema pallidum phosphoglycerate kinase 0.0173 0.2104 0.5159
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.011 0.0073
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0444 0.1688
Loa Loa (eye worm) hypothetical protein 0.0085 0.0807 0.091
Schistosoma mansoni hypothetical protein 0.054 0.7534 0.7534
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.0979 0.0979
Schistosoma mansoni phosphoglycerate kinase 0.0173 0.2104 0.2104
Brugia malayi TAR-binding protein 0.0129 0.1451 0.1637
Plasmodium falciparum glutathione reductase 0.004 0.0134 0.0026
Entamoeba histolytica hypothetical protein 0.0036 0.0084 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0195 0.0526
Mycobacterium ulcerans DNA polymerase IV 0.0081 0.0744 0.0693
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0011 0.0013
Schistosoma mansoni ap endonuclease 0.0038 0.011 0.011
Giardia lamblia DINP protein human, muc B family 0.0061 0.0444 0.0863
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.0979 0.1104
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2271 0.2271
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0452 0.0374
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1012 0.1142
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0173 0.2104 1
Entamoeba histolytica phosphofructokinase, putative 0.011 0.118 0.2822
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0082 0.0092
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0452 0.0452
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0082 0.0389
Loa Loa (eye worm) hypothetical protein 0.0145 0.1699 0.1917
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Onchocerca volvulus Huntingtin homolog 0.0145 0.1699 0.2742
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.011 0.0125
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0122 0.0122
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0196 0.2442 0.2755
Brugia malayi STAT protein, DNA binding domain containing protein 0.0629 0.8864 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Echinococcus granulosus chromobox protein 1 0.0069 0.0569 0.0569
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0082 0.0082
Plasmodium vivax glutathione reductase, putative 0.004 0.0134 0.0145
Mycobacterium ulcerans DNA polymerase IV 0.0081 0.0744 0.0693
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0452 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.012 0.0098
Toxoplasma gondii thioredoxin reductase 0.004 0.0134 0.0636
Loa Loa (eye worm) matrixin family protein 0.046 0.6355 0.717
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.118 0.2822
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0452 0.0452
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0085 0.0807 0.091
Entamoeba histolytica fatty acid elongase, putative 0.0085 0.0808 0.1866
Schistosoma mansoni tar DNA-binding protein 0.0129 0.1451 0.1451
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0197 0.0535
Brugia malayi Phosphoglycerate kinase 0.0173 0.2104 0.2374
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.1034 0.101
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.0884 0.0847
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Entamoeba histolytica hypothetical protein 0.0036 0.0084 0.0005
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Brugia malayi MH2 domain containing protein 0.0233 0.299 0.3373
Entamoeba histolytica deoxycytidyl transferase, putative 0.0054 0.0345 0.0676
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2271 0.2271
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0134 0.0145
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0061 0.0444 0.0365
Schistosoma mansoni 6-phosphofructokinase 0.011 0.118 0.118
Loa Loa (eye worm) glutathione reductase 0.004 0.0134 0.0151
Trypanosoma cruzi DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Echinococcus multilocularis microtubule associated protein 2 0.0706 1 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0539 0.0608
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Loa Loa (eye worm) hypothetical protein 0.0145 0.1699 0.1917
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0569 0.125
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0054 0.0345 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.1034 0.101
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.0979 0.2303
Echinococcus multilocularis lysosomal alpha glucosidase 0.0163 0.1954 0.1954
Brugia malayi polk-prov protein 0.0044 0.0195 0.022
Onchocerca volvulus Matrilysin homolog 0.0428 0.588 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0539 0.0608
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0173 0.2104 0.5195
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.118 0.512
Echinococcus granulosus dna polymerase eta 0.008 0.0728 0.0728
Echinococcus multilocularis carbonic anhydrase 0.0085 0.0807 0.0807
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0184 0.2271 0.2271
Echinococcus multilocularis GPCR, family 2 0.0031 0.0011 0.0011
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0452 0.1726
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0134 0.0242
Schistosoma mansoni kinase 0.0049 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0161 0.1924 0.2171
Entamoeba histolytica fatty acid elongase, putative 0.0085 0.0808 0.1866
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.0979 0.1104
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.118 0.512
Loa Loa (eye worm) hypothetical protein 0.0232 0.2986 0.3368
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0195 0.0526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2271 0.2271
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Echinococcus granulosus carbonic anhydrase 0.0085 0.0807 0.0807
Brugia malayi chromobox protein homolog 3 0.0039 0.012 0.0135
Trichomonas vaginalis DNA polymerase eta, putative 0.0081 0.0744 0.1702
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0084 0.0084
Schistosoma mansoni terminal deoxycytidyl transferase 0.0054 0.0345 0.0345
Trypanosoma brucei DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Schistosoma mansoni hypothetical protein 0.0228 0.2918 0.2918
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0184 0.2271 0.2271
Trypanosoma cruzi DNA polymerase kappa, putative 0.0081 0.0744 0.3087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1012 0.1142
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0163 0.1954 0.2205
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0063 0.0486 0.1884
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0181 0.2227 0.2513
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0122 0.0122
Onchocerca volvulus Matrix metalloproteinase homolog 0.0356 0.4819 0.8158
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.0197 0.0535
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.0979 0.0979
Loa Loa (eye worm) carbonic anhydrase 3 0.0181 0.2227 0.2513
Schistosoma mansoni ap endonuclease 0.0038 0.011 0.011
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0163 0.021
Entamoeba histolytica hypothetical protein 0.0036 0.0084 0.0005
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0656 0.9252 1
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.0884 0.0847
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.118 0.1332
Echinococcus granulosus phosphoglycerate kinase 1 0.0173 0.2104 0.2104
Loa Loa (eye worm) STAT protein 0.0629 0.8864 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.011 0.0133
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0054 0.0345 0.0389
Schistosoma mansoni carbonic anhydrase-related 0.0085 0.0807 0.0807
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0539 0.0539
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0196 0.2442 0.2551
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0569 0.0641
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0146 0.171 0.5302
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0013
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.118 0.19
Brugia malayi Glycosyl hydrolases family 31 protein 0.0163 0.1954 0.2205
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Echinococcus granulosus carbonic anhydrase II 0.0181 0.2227 0.2227
Echinococcus granulosus lysosomal alpha glucosidase 0.0163 0.1954 0.1954
Echinococcus granulosus chromobox protein 1 0.0069 0.0569 0.0569
Brugia malayi Phosphoglycerate kinase 0.0063 0.0486 0.0548
Trypanosoma brucei polo-like protein kinase 0.0097 0.0979 0.4179
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Trypanosoma brucei phosphoglycerate kinase 0.0173 0.2104 0.9425
Brugia malayi phosphofructokinase 0.011 0.118 0.1332
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0549 0.0619
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0173 0.2104 0.5195
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0181 0.2227 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0299 0.3975 1
Trypanosoma brucei unspecified product 0.0037 0.0098 0.0073
Toxoplasma gondii exonuclease III APE 0.0038 0.011 0.0525
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0081 0.0744 0.1702
Loa Loa (eye worm) TAR-binding protein 0.0129 0.1451 0.1637
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0085 0.0807 0.091
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0345 0.0389
Schistosoma mansoni alpha-glucosidase 0.014 0.1619 0.1619
Loa Loa (eye worm) transcription factor SMAD2 0.0233 0.299 0.3373
Echinococcus multilocularis phosphoglycerate kinase 1 0.0173 0.2104 0.2104
Schistosoma mansoni 6-phosphofructokinase 0.011 0.118 0.118
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0452 0.0452
Onchocerca volvulus 0.0228 0.2918 0.4857
Loa Loa (eye worm) hypothetical protein 0.0039 0.012 0.0135
Brugia malayi 6-phosphofructokinase 0.011 0.118 0.1332
Schistosoma mansoni hypothetical protein 0.0068 0.0549 0.0549
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0452 0.2149
Loa Loa (eye worm) hypothetical protein 0.008 0.0728 0.0821
Echinococcus multilocularis dna polymerase eta 0.008 0.0728 0.0728
Schistosoma mansoni chromobox protein 0.0069 0.0569 0.0569
Schistosoma mansoni chromobox protein 0.0069 0.0569 0.0569
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.118 0.118
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.012 0.0098
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0085 0.0807 0.091
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0656 0.925 0.925
Brugia malayi Matrixin family protein 0.0161 0.1924 0.2171
Echinococcus multilocularis carbonic anhydrase II 0.0181 0.2227 0.2227
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0656 0.9252 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0173 0.2104 0.9425
Echinococcus multilocularis dna polymerase kappa 0.0081 0.0744 0.0744
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0043 0.0178 0.0845
Treponema pallidum fructose-bisphosphate aldolase 0.0299 0.3975 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0085 0.0807 0.091
Echinococcus multilocularis geminin 0.054 0.7534 0.7534
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0299 0.3975 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.0979 0.2303
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0084 0.0084
Plasmodium vivax phosphoglycerate kinase, putative 0.0173 0.2104 0.2274
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0163 0.021
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0486 0.1884
Mycobacterium tuberculosis Conserved hypothetical protein 0.0054 0.0345 0.0257
Trypanosoma cruzi DNA polymerase eta, putative 0.008 0.0728 0.3009
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.011 0.011
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.0979 0.0979
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0539 0.0539
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0184 0.2271 0.2562
Trypanosoma brucei DNA polymerase IV, putative 0.0081 0.0744 0.3087

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 4.7 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
ED50 (functional) = 4.7 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
ED50 (functional) = 12.2 mg kg-1 Inhibition of spontaneous locomotor activity after peroral injection into rat ChEMBL. 9003524
Ki (binding) = 139 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Ki (binding) = 139 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Reversal (functional) = 60 % Percent reversal of DOPA levels in the striatum of gamma-butyrolactone-treated rats at 10 mg/kg by intraperitoneal route ChEMBL. 9003524

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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