Detailed information for compound 142133

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.522 | Formula: C24H30N4
  • H donors: 1 H acceptors: 1 LogP: 4.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(nc1)N1CCN(CC1)C[C@@H]1CC[C@H](CC1)c1c[nH]c2c1cccc2
  • InChi: 1S/C24H30N4/c1-2-6-23-21(5-1)22(17-26-23)20-10-8-19(9-11-20)18-27-13-15-28(16-14-27)24-7-3-4-12-25-24/h1-7,12,17,19-20,26H,8-11,13-16,18H2/t19-,20-
  • InChiKey: WYVYDCVFEZZZCK-MXVIHJGJSA-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
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2.3 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
ED50 (functional) = 2.3 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
ED50 (functional) = 8.8 mg kg-1 Inhibition of spontaneous locomotor activity after peroral injection into rat ChEMBL. 9003524
Ki (binding) = 85 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Ki (binding) = 85 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Reversal (functional) = 81 % 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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