Detailed information for compound 143653

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.556 | Formula: C27H32N2
  • H donors: 1 H acceptors: 0 LogP: 6.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C1=CCN(CC1)CC[C@@H]1CC[C@@H](CC1)c1c[nH]c2c1cccc2
  • InChi: 1S/C27H32N2/c1-2-6-22(7-3-1)23-15-18-29(19-16-23)17-14-21-10-12-24(13-11-21)26-20-28-27-9-5-4-8-25(26)27/h1-9,15,20-21,24,28H,10-14,16-19H2/t21-,24+
  • InChiKey: VSQWONPJPLALKE-PEPAQOBHSA-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 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
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 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
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 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0548 0.0548
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.002 0.0122 0.0257
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0011 0.0039 0.0099
Trichomonas vaginalis esterase, putative 0.0018 0.0105 0.6043
Schistosoma mansoni single-minded 0.0066 0.0576 0.0576
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0247 0.0577
Plasmodium falciparum heat shock protein 90 0.0023 0.0153 0.1625
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0548 0.1345
Trypanosoma cruzi heat shock protein 85, putative 0.0023 0.0153 0.4118
Mycobacterium leprae Probable lipase LipE 0.0018 0.0105 0.6816
Trichomonas vaginalis D-aminoacylase, putative 0.0018 0.0105 0.6043
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Brugia malayi hypothetical protein 0.0323 0.3073 0.7802
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0026 0.0185 0.0185
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0026 0.0185 0.2067
Schistosoma mansoni jun-related protein 0.0334 0.3183 0.3183
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0135
Trichomonas vaginalis heat shock protein, putative 0.002 0.012 0.7332
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0411 0.3933 1
Plasmodium vivax ataxin-2 like protein, putative 0.0042 0.0338 0.4118
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Plasmodium vivax heat shock protein 90, putative 0.0015 0.0078 0.0618
Trypanosoma brucei PAB1-binding protein , putative 0.0042 0.0338 0.0315
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0015 0.0078 0.0197
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0026 0.0185 0.2067
Brugia malayi TAR-binding protein 0.0063 0.0548 0.1345
Brugia malayi hypothetical protein 0.0011 0.0032 0.0026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0934 0.2333
Echinococcus multilocularis cAMP responsive element binding protein 3 0.0011 0.0039 0.0099
Trichomonas vaginalis guanylate cyclase, putative 0.0017 0.0097 0.5437
Schistosoma mansoni hypothetical protein 0.0019 0.0113 0.0113
Echinococcus multilocularis nibrin 0.0011 0.0032 0.0081
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0017 0.0097 0.2368
Schistosoma mansoni smad1 5 8 and 0.0009 0.0022 0.0022
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0017 0.0097 0.2368
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.007 0.0184
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0097 0.5437
Schistosoma mansoni hypothetical protein 0.0038 0.0303 0.0303
Schistosoma mansoni smad 0.0009 0.0022 0.0022
Echinococcus multilocularis lamin 0.0027 0.0193 0.049
Echinococcus multilocularis cyclic AMP responsive element binding protein 0.0011 0.0039 0.0099
Schistosoma mansoni fos transcription factor-related 0.0011 0.0039 0.0039
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus multilocularis aryl hydrocarbon receptor 0.0017 0.0097 0.0248
Trichomonas vaginalis endoplasmin, putative 0.0017 0.0091 0.4935
Loa Loa (eye worm) hypothetical protein 0.0161 0.1501 0.3925
Onchocerca volvulus 0.0011 0.0039 0.0024
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0026 0.0185 0.5161
Toxoplasma gondii heat shock protein 90, putative 0.0023 0.0153 0.1625
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0102
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0548 0.1432
Echinococcus granulosus expressed protein 0.0011 0.0039 0.0099
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0193 0.0437
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0017 0.0097 0.0248
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0037 0.0288 0.0732
Giardia lamblia Grp94/Hsp90 0.0022 0.0139 0.8865
Schistosoma mansoni camp-response element binding protein-related 0.0011 0.0039 0.0039
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0026 0.0185 0.0472
Brugia malayi Hsp90 protein 0.0015 0.0078 0.0143
Entamoeba histolytica heat shock protein 90, putative 0.0023 0.0153 0.4447
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus multilocularis isocitrate dehydrogenase 0.0026 0.0185 0.0472
Mycobacterium ulcerans beta-lactamase 0.0018 0.0105 0.2108
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0026 0.0185 0.0854
Echinococcus granulosus beta LACTamase domain containing family member 0.0018 0.0105 0.0266
Giardia lamblia Heat shock protein HSP 90-alpha 0.002 0.012 0.7332
Trypanosoma brucei RNA helicase, putative 0.1034 1 1
Schistosoma mansoni hypothetical protein 0.0026 0.0181 0.0181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0247 0.0629
Echinococcus granulosus lamin 0.0027 0.0193 0.049
Onchocerca volvulus 0.0027 0.0193 0.0529
Entamoeba histolytica heat shock protein 90, putative 0.0023 0.0153 0.4447
Onchocerca volvulus 0.0018 0.0105 0.024
Schistosoma mansoni aryl hydrocarbon receptor 0.0066 0.0576 0.0576
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0018 0.0105 0.2108
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0024 0.003
Schistosoma mansoni smad1 5 8 and 0.0009 0.0022 0.0022
Entamoeba histolytica hypothetical protein 0.0038 0.0303 1
Brugia malayi beta-lactamase family protein 0.0018 0.0105 0.0213
Loa Loa (eye worm) hypoxia-induced factor 1 0.0205 0.1931 0.505
Trypanosoma cruzi cytochrome P450, putative 0.001 0.0024 0.003
Mycobacterium ulcerans lipase LipD 0.0018 0.0105 0.2108
Trypanosoma cruzi FHA domain containing protein, putative 0.0011 0.0032 0.0283
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Entamoeba histolytica hypothetical protein 0.0038 0.0303 1
Trypanosoma cruzi heat shock protein 90, putative 0.0023 0.0153 0.4118
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0071 0.0616 0.1612
Brugia malayi hypothetical protein 0.0223 0.2099 0.5311
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0032 0.0283
Onchocerca volvulus 0.0027 0.0193 0.0529
Trichomonas vaginalis heat shock protein, putative 0.0023 0.0153 1
Echinococcus granulosus endoplasmin 0.0022 0.0139 0.0353
Trichomonas vaginalis guanylate cyclase, putative 0.0017 0.0097 0.5437
Trichomonas vaginalis heat shock protein, putative 0.0022 0.0139 0.8865
Echinococcus multilocularis jun protein 0.0411 0.3933 1
Echinococcus multilocularis fos transcription factor 0.0011 0.0039 0.0099
Brugia malayi bHLH-PAS transcription factor 0.0049 0.0408 0.0988
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0247 0.0647
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Toxoplasma gondii ABC1 family protein 0.0018 0.0105 0.0982
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0022 0.0139 0.3664
Schistosoma mansoni hypothetical protein 0.0181 0.1691 0.1691
Brugia malayi hypothetical protein 0.0161 0.1501 0.3781
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus multilocularis smad 0.0009 0.0022 0.0055
Schistosoma mansoni smad1 5 8 and 0.0009 0.0022 0.0022
Trypanosoma cruzi heat shock protein 85, putative 0.0023 0.0153 0.4118
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Leishmania major heat shock protein, putative 0.0015 0.0078 0.1715
Mycobacterium ulcerans heat shock protein 90 0.0022 0.0139 0.2996
Loa Loa (eye worm) CYP4Cod1 0.001 0.0024 0.0062
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0017 0.0097 0.2345
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Leishmania major protein kinase, putative 0.0017 0.0097 0.2345
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0026 0.0185 0.0472
Loa Loa (eye worm) heat shock protein 90 0.0023 0.0153 0.0399
Brugia malayi RNA binding protein 0.0063 0.0548 0.1345
Echinococcus granulosus nuclear factor of activated T cells 5 0.0037 0.0288 0.0732
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0022 0.0055
Brugia malayi MH2 domain containing protein 0.0139 0.1283 0.3225
Echinococcus multilocularis cyclic AMP dependent transcription factor ATF 6 0.0011 0.0039 0.0099
Loa Loa (eye worm) hypothetical protein 0.0223 0.2099 0.549
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0022 0.0139 0.0361
Loa Loa (eye worm) bZIP transcription factor family protein 0.0011 0.0039 0.0102
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0.0109 0.6432
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0011 0.0039 0.0099
Trichomonas vaginalis heat shock protein, putative 0.0022 0.0139 0.8865
Trypanosoma brucei heat shock protein 84, putative 0.0015 0.0078 0.0054
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Echinococcus granulosus smad 0.0009 0.0022 0.0055
Loa Loa (eye worm) hypothetical protein 0.0013 0.0056 0.0147
Schistosoma mansoni hypothetical protein 0.0033 0.0247 0.0247
Giardia lamblia Heat shock protein HSP 90-alpha 0.0023 0.0153 1
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Schistosoma mansoni hypothetical protein 0.0334 0.3183 0.3183
Trypanosoma cruzi Heat shock protein 83, putative 0.0023 0.0153 0.4118
Echinococcus granulosus nibrin 0.0011 0.0032 0.0081
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Onchocerca volvulus 0.0049 0.0408 0.1237
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0548 0.1392
Brugia malayi Endoplasmin precursor 0.0023 0.0153 0.0335
Brugia malayi hypoxia-induced factor 1 0.0205 0.1931 0.4881
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Schistosoma mansoni Smad4 0.0009 0.0022 0.0022
Leishmania major hypothetical protein, conserved 0.0018 0.0105 0.2578
Mycobacterium leprae Possible regulatory protein 0.0017 0.0097 0.6133
Loa Loa (eye worm) bZIP transcription factor family protein 0.0011 0.0039 0.0102
Echinococcus multilocularis heat shock protein 0.0023 0.0153 0.0388
Schistosoma mansoni intermediate filament proteins 0.0027 0.0193 0.0193
Brugia malayi PAS domain containing protein 0.0066 0.0576 0.1418
Echinococcus multilocularis Smad4 0.0009 0.0022 0.0055
Loa Loa (eye worm) hypothetical protein 0.0027 0.0188 0.0491
Brugia malayi hypothetical protein 0.0042 0.0338 0.0809
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0026 0.0185 0.5161
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0017 0.0097 0.2368
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0019 0.0113 0.0286
Plasmodium vivax endoplasmin, putative 0.0023 0.0153 0.1625
Echinococcus granulosus Smad4 0.0009 0.0022 0.0055
Schistosoma mansoni endoplasmin 0.0023 0.0153 0.0153
Trichomonas vaginalis heat shock protein, putative 0.0017 0.0091 0.4935
Loa Loa (eye worm) heat shock protein 75 0.0015 0.0078 0.0203
Loa Loa (eye worm) beta-lactamase 0.0018 0.0105 0.0274
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0548 0.0548
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.012 0.3094
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0018 0.0105 0.0105
Brugia malayi bZIP transcription factor family protein 0.0011 0.0039 0.0045
Echinococcus granulosus intermediate filament protein 0.0027 0.0193 0.049
Echinococcus multilocularis lamin dm0 0.0027 0.0193 0.049
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0022 0.0139 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0105 0.26
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.014 0.014
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0015 0.0078 0.0197
Schistosoma mansoni hypothetical protein 0.0071 0.0616 0.0616
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Plasmodium vivax heat shock protein, putative 0.0087 0.0775 1
Schistosoma mansoni camp-response element binding protein-related 0.0011 0.0039 0.0039
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0026 0.0185 0.0472
Leishmania major hypothetical protein, conserved 0.0042 0.0338 1
Echinococcus multilocularis musashi 0.0027 0.0193 0.049
Schistosoma mansoni topbp1 0.0011 0.0032 0.0032
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0115 0.105 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0018 0.0105 0.6043
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Onchocerca volvulus 0.0018 0.0105 0.024
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0024 0.0062
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0.0032 0.0207
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0022 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0548 0.0548
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0018 0.0105 0.0274
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0338 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Trichomonas vaginalis penicillin-binding protein, putative 0.0018 0.0105 0.6043
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0017 0.0097 0.5437
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Echinococcus granulosus cAMP responsive element binding protein 3 0.0011 0.0039 0.0099
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0022 0.0055
Echinococcus granulosus jun protein 0.0411 0.3933 1
Echinococcus granulosus geminin 0.0181 0.1691 0.43
Brugia malayi Isocitrate dehydrogenase 0.0026 0.0185 0.0419
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0017 0.0097 0.0255
Brugia malayi hypothetical protein 0.0011 0.0032 0.0026
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0015 0.0078 0.169
Onchocerca volvulus 0.0018 0.0105 0.024
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0017 0.0097 0.0248
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0934 0.2333
Brugia malayi intermediate filament protein 0.0027 0.0193 0.0437
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0022 0.0022
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0338 0.4118
Treponema pallidum heat shock protein 90 0.0022 0.0139 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0411 0.3933 1
Echinococcus multilocularis geminin 0.0181 0.1691 0.43
Mycobacterium ulcerans putative regulatory protein 0.0049 0.0408 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0338 1
Brugia malayi beta-lactamase 0.0018 0.0105 0.0213
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0548 0.0548
Mycobacterium ulcerans hypothetical protein 0.0018 0.0105 0.2108
Brugia malayi bZIP transcription factor family protein 0.0011 0.0039 0.0045
Brugia malayi Cytochrome P450 family protein 0.001 0.0024 0.0006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0884
Leishmania major protein kinase, putative 0.002 0.0123 0.3155
Brugia malayi beta-lactamase family protein 0.0018 0.0105 0.0213
Trypanosoma brucei heat shock protein 90, putative 0.0023 0.0153 0.0129
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.002 0.0122 0.0319
Schistosoma mansoni hypothetical protein 0.0033 0.0247 0.0247
Echinococcus multilocularis heat shock protein 90 0.0023 0.0153 0.0388
Echinococcus granulosus lamin dm0 0.0027 0.0193 0.049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0018 0.0105 0.0105
Brugia malayi bZIP transcription factor family protein 0.0011 0.0039 0.0045
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0021 0.013 1
Trypanosoma cruzi heat shock protein 85, putative 0.002 0.012 0.3094
Trypanosoma cruzi hypothetical protein, conserved 0.0011 0.0032 0.0283
Brugia malayi bZIP transcription factor family protein 0.0411 0.3933 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Loa Loa (eye worm) hypothetical protein 0.0017 0.0097 0.0255
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0056 0.0143
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0097 0.5437
Echinococcus granulosus potassium voltage gated channel subfamily H 0.002 0.0122 0.0311
Plasmodium falciparum heat shock protein 90, putative 0.0087 0.0775 1
Plasmodium falciparum endoplasmin, putative 0.0017 0.0091 0.0802
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0026 0.0185 0.0162
Schistosoma mansoni heat shock protein 0.0023 0.0153 0.0153
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0022 0.0139 1
Mycobacterium ulcerans esterase/lipase LipP 0.0018 0.0105 0.2108
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.007 0.0125
Trichomonas vaginalis conserved hypothetical protein 0.0017 0.0097 0.5437
Plasmodium falciparum heat shock protein 90, putative 0.0013 0.0059 0.0368
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Brugia malayi DKFZp564C0469 protein 0.0011 0.0032 0.0026
Schistosoma mansoni hypothetical protein 0.0181 0.1691 0.1691
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0026 0.0185 0.0472
Loa Loa (eye worm) hypothetical protein 0.0033 0.0247 0.0647
Echinococcus multilocularis GPCR, family 2 0.0033 0.0247 0.0629
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0338 0.4118
Schistosoma mansoni hypothetical protein 0.0033 0.0247 0.0247
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0022 0.0056
Echinococcus granulosus heat shock protein 90 0.002 0.012 0.0306
Trichomonas vaginalis D-aminoacylase, putative 0.0018 0.0105 0.6043
Brugia malayi heat shock protein 90 0.0023 0.0153 0.0335
Echinococcus granulosus heat shock protein 0.0023 0.0153 0.0388
Schistosoma mansoni endoplasmin 0.0023 0.0153 0.0153
Trypanosoma cruzi heat shock protein 85, putative 0.0023 0.0153 0.4118
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0193 0.0504
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.002 0.012 0.0306
Loa Loa (eye worm) hypothetical protein 0.0103 0.0934 0.2443
Trichomonas vaginalis D-aminoacylase, putative 0.0018 0.0105 0.6043
Loa Loa (eye worm) Smad1 0.0009 0.0022 0.0056
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0193 0.0504
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0616 0.152
Schistosoma mansoni heat shock protein 0.0015 0.0078 0.0078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0934 0.2443
Toxoplasma gondii isocitrate dehydrogenase 0.0026 0.0185 0.2067
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0017 0.0097 0.2368
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0032 0.0032
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.014 0.014
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Plasmodium vivax heat shock protein 86, putative 0.0023 0.0153 0.1625
Schistosoma mansoni lamin 0.0027 0.0193 0.0193
Toxoplasma gondii LsmAD domain-containing protein 0.0042 0.0338 0.4118
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0032 0.0081
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0026 0.0185 0.0162
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0247 0.0629
Plasmodium vivax hypothetical protein, conserved 0.0018 0.0105 0.0982
Toxoplasma gondii isocitrate dehydrogenase 0.0026 0.0185 0.2067
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.002 0.0122 0.0311
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0303 0.0772
Echinococcus granulosus tar DNA binding protein 0.0063 0.0548 0.1392
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0247 0.0629
Echinococcus granulosus aryl hydrocarbon receptor 0.0017 0.0097 0.0248
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0247 0.0629
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0022 0.0055
Loa Loa (eye worm) cytochrome P450 family protein 0.001 0.0024 0.0062
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0017 0.0097 0.5437
Schistosoma mansoni lamin 0.0027 0.0193 0.0193
Echinococcus granulosus cyclic AMP responsive element binding protein 0.0011 0.0039 0.0099
Schistosoma mansoni DNA ligase IV 0.0011 0.0032 0.0032
Schistosoma mansoni topbp1 0.0011 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.04 0.3824 1
Trypanosoma brucei Heat shock protein 83, putative 0.0023 0.0153 0.0129
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Entamoeba histolytica hypothetical protein 0.0038 0.0303 1
Onchocerca volvulus 0.0017 0.0097 0.0216
Echinococcus multilocularis transfer RNA-Lys 0.0049 0.0408 0.1037
Loa Loa (eye worm) endoplasmin 0.0023 0.0153 0.0399
Onchocerca volvulus 0.0323 0.3073 1
Entamoeba histolytica hypothetical protein 0.0038 0.0303 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0017 0.0097 0.2368
Brugia malayi bZIP transcription factor family protein 0.0011 0.0039 0.0045
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0105 0.0081
Trypanosoma brucei heat shock protein 90, putative 0.0023 0.0153 0.0129
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0032 0.0283
Toxoplasma gondii heat shock protein 75, putative 0.0015 0.0078 0.0618
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0015 0.0078 0.0151
Mycobacterium leprae conserved hypothetical protein 0.0018 0.0105 0.6816
Leishmania major heat shock protein 83-1 0.0023 0.0153 0.41
Loa Loa (eye worm) hypothetical protein 0.0018 0.0105 0.0274
Echinococcus granulosus fos transcription factor 0.0011 0.0039 0.0099
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0017 0.0097 0.5437
Schistosoma mansoni heat shock protein 0.0023 0.0153 0.0153
Echinococcus multilocularis heat shock protein 90 0.002 0.012 0.0306
Trichomonas vaginalis heat shock protein, putative 0.0013 0.0059 0.2266
Loa Loa (eye worm) bZIP transcription factor family protein 0.0011 0.0039 0.0102
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0017 0.0097 0.5437
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0022 0.0056
Echinococcus granulosus cyclic AMP dependent transcription factor ATF 6 0.0011 0.0039 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.1283 0.3355
Loa Loa (eye worm) hypothetical protein 0.0011 0.0039 0.0102
Toxoplasma gondii heat shock protein HSP90 0.0023 0.0153 0.1625
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0026 0.0185 0.0472
Echinococcus multilocularis beta LACTamase domain containing family member 0.0018 0.0105 0.0266
Loa Loa (eye worm) hypothetical protein 0.0027 0.0193 0.0504
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0032 0.0026
Trichomonas vaginalis adenylate cyclase, putative 0.0017 0.0097 0.5437
Schistosoma mansoni camp-response element binding protein-related 0.0011 0.0039 0.0039
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0303 0.0303
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.1283 0.3355
Brugia malayi Cytochrome P450 family protein 0.001 0.0024 0.0006
Schistosoma mansoni hypothetical protein 0.0011 0.0039 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0105 0.26
Onchocerca volvulus 0.0161 0.1501 0.4829
Loa Loa (eye worm) isocitrate dehydrogenase 0.0026 0.0185 0.0485
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0018 0.0109 0.6432
Trypanosoma cruzi heat shock protein, putative 0.0015 0.0078 0.174
Brugia malayi topoisomerase 0.0011 0.0032 0.0026
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Echinococcus granulosus cyclic AMP responsive element binding protein 0.0011 0.0039 0.0099
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0011 0.0032 0.0008
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0026 0.0185 0.5147
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0019 0.0113 0.0286
Trypanosoma brucei heat shock protein, putative 0.0023 0.0153 0.0129
Toxoplasma gondii Hsp90 domain-containing protein 0.0087 0.0775 1
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0032 0.0081
Loa Loa (eye worm) hypothetical protein 0.0013 0.0052 0.0135
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0548 0.1432
Loa Loa (eye worm) RNA binding protein 0.0063 0.0548 0.1432
Schistosoma mansoni hypothetical protein 0.0033 0.0247 0.0247
Brugia malayi isocitrate dehydrogenase 0.0026 0.0185 0.0419
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0056 0.0143
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0017 0.0097 0.2368
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0303 0.0772
Loa Loa (eye worm) hypothetical protein 0.0011 0.0032 0.0083
Echinococcus granulosus heat shock protein 90 0.0023 0.0153 0.0388
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0018 0.0105 0.0213
Brugia malayi hypothetical protein 0.0027 0.0193 0.0439
Echinococcus multilocularis endoplasmin 0.0022 0.0139 0.0353
Echinococcus multilocularis expressed protein 0.0011 0.0039 0.0099
Echinococcus granulosus GPCR family 2 0.0033 0.0247 0.0629
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0032 0.0026
Loa Loa (eye worm) hypothetical protein 0.0017 0.0097 0.0253
Schistosoma mansoni camp-response element binding protein 0.0011 0.0039 0.0039
Brugia malayi hypothetical protein 0.0011 0.0039 0.0045
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0247 0.0577
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0017 0.0097 0.5437
Echinococcus granulosus single minded 2 0.0051 0.0426 0.1082
Brugia malayi hypothetical protein 0.0038 0.0303 0.0721

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 10.5 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
ED50 (functional) = 10.5 mg kg-1 In vivo inhibition of locomotor activity in mice following i.p. administration. ChEMBL. 9003524
Ki (binding) = 28 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Ki (binding) = 28 nM In vitro binding affinity for dopamine receptor D2 on rat striatal membranes by [3H]-spiperone displacement. ChEMBL. 9003524
Reversal (functional) = 5 % 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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