Detailed information for compound 72402

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 524.333 | Formula: C20H36Br2N4O2
  • H donors: 0 H acceptors: 2 LogP: 1.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N1CC[N+]2(CC1)CCCC2)CCC(=O)N1CC[N+]2(CC1)CCCC2.[Br-].[Br-]
  • InChi: 1S/C20H36N4O2.2BrH/c25-19(21-7-15-23(16-8-21)11-1-2-12-23)5-6-20(26)22-9-17-24(18-10-22)13-3-4-14-24;;/h1-18H2;2*1H/q+2;;/p-2
  • InChiKey: HKSMCGMAQIGOKU-UHFFFAOYSA-L  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586
Echinococcus multilocularis tyrosine protein kinase csk 0.0039 0.0113 0.0113
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0081 0.0357 0.0357
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Leishmania major beta tubulin 0.1092 0.6276 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0081 0.0357 0.0357
Echinococcus granulosus dro:myosuppressin receptor 0.0699 0.3975 0.3975
Echinococcus granulosus g protein coupled receptor 0.0699 0.3975 0.3975
Schistosoma mansoni tyrosine kinase 0.0069 0.029 0.029
Schistosoma mansoni hypothetical protein 0.1728 1 1
Brugia malayi Sex muscle abnormal protein 5 0.003 0.0061 0.0079
Brugia malayi G-protein coupled receptor 0.0699 0.3975 0.6017
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0699 0.3975 0.3975
Echinococcus multilocularis tyrosine protein kinase csk 0.0039 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0699 0.3975 0.3975
Schistosoma mansoni neuropeptide receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis neuroendocrine convertase 2 precursor, putative 0.0084 0.0374 0.0409
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis tubulin, beta 4A class IVa 0.1092 0.6276 0.6276
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0699 0.3975 0.3975
Leishmania major beta tubulin 0.1092 0.6276 1
Brugia malayi sulfakinin receptor protein 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Brugia malayi G protein-coupled receptor F59B2.13 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis 0.035 0.1931 0.1931
Echinococcus granulosus Tubulin beta 2C chain 0.1092 0.6276 0.6276
Schistosoma mansoni opsin-like receptor 0.0699 0.3975 0.3975
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0263 0.1426 0.1426
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis g protein coupled receptor 0.0699 0.3975 0.3975
Echinococcus granulosus beta tubulin 0.1092 0.6276 0.6276
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0699 0.3975 0.3975
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0081 0.0357 0.0357
Echinococcus multilocularis tyrosine protein kinase Srms 0.0081 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus neuropeptides capa receptor 0.0699 0.3975 0.3975
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0699 0.3975 0.3975
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0263 0.1426 0.2118
Loa Loa (eye worm) BEN-1 protein 0.1092 0.6276 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0699 0.3975 0.3975
Echinococcus granulosus fmrfamide receptor 0.0699 0.3975 0.3975
Echinococcus granulosus g protein coupled receptor 0.0699 0.3975 0.3975
Echinococcus granulosus growth factor receptor bound protein 2 0.003 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0096 0.0445 0.0445
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0699 0.3975 0.3975
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0123 0.0114
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni biogenic amine receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis MAM 0.0022 0.0012 0.0012
Echinococcus multilocularis neuropeptide receptor 0.0699 0.3975 0.3975
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0263 0.1426 0.1426
Loa Loa (eye worm) beta-tubulin 0.1092 0.6276 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0699 0.3975 0.3975
Leishmania major beta tubulin 0.1092 0.6276 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586
Leishmania major beta tubulin 0.1092 0.6276 1
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus tyrosine protein kinase csk 0.0039 0.0113 0.0113
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0699 0.3975 0.3975
Schistosoma mansoni tyrosine kinase 0.0035 0.0086 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1706 0.9875 0.9875
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0699 0.3975 0.3975
Echinococcus granulosus c src tyrosine kinase 0.0069 0.029 0.029
Schistosoma mansoni histamine h1 receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Brugia malayi Dopamine receptor protein 1 0.0699 0.3975 0.6017
Echinococcus multilocularis tubulin subunit beta 0.1092 0.6276 0.6276
Loa Loa (eye worm) neuropeptide F receptor 0.0699 0.3975 0.6326
Echinococcus granulosus neuropeptide receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0096 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0084 0.0374 0.0374
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0699 0.3975 0.6017
Echinococcus multilocularis beta tubulin 0.1092 0.6276 0.6276
Echinococcus granulosus tyrosine protein kinase HCK 0.0066 0.0267 0.0267
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis Tubulin beta 2C chain 0.1092 0.6276 0.6276
Loa Loa (eye worm) TK/ABL protein kinase 0.0246 0.1326 0.2097
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus neuropeptide FF receptor 2 0.0919 0.5266 0.5266
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) SRC-1 0.0096 0.0445 0.0691
Toxoplasma gondii beta tubulin 0.1092 0.6276 0.5
Echinococcus multilocularis g protein coupled receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0027 0.0043 0.005
Echinococcus granulosus tyrosine protein kinase csk 0.0039 0.0113 0.0113
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0123 0.0186
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni alpha-1 adrenergic receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis tubulin gamma chain, putative 0.1092 0.6276 1
Echinococcus multilocularis Tubulin beta 2C chain 0.1092 0.6276 0.6276
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Leishmania major beta tubulin 0.1092 0.6276 1
Loa Loa (eye worm) proprotein convertase 2 0.0102 0.0483 0.0752
Schistosoma mansoni opsin-like receptor 0.0699 0.3975 0.3975
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0123 0.0186
Brugia malayi proprotein convertase 2 0.0272 0.1479 0.2229
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0699 0.3975 0.6326
Trypanosoma brucei beta tubulin 0.1092 0.6276 1
Leishmania major beta tubulin 0.1092 0.6276 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0699 0.3975 0.3975
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0035 0.0035
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus neuropeptide s receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus neuropeptides capa receptor 0.0699 0.3975 0.3975
Brugia malayi beta-tubulin, identical 0.1092 0.6276 0.9508
Leishmania major beta tubulin 0.1092 0.6276 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0699 0.3975 0.3975
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0123 0.0114
Leishmania major beta tubulin 0.1092 0.6276 1
Onchocerca volvulus 0.0699 0.3975 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis c src tyrosine kinase 0.0069 0.029 0.029
Echinococcus multilocularis NCK adaptor protein 0.003 0.0061 0.0061
Schistosoma mansoni growth factor receptor-bound protein 0.003 0.0061 0.0061
Brugia malayi Dopamine receptor protein 2 0.0699 0.3975 0.6017
Leishmania major beta tubulin 0.1092 0.6276 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0035 0.0086 0.0086
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0699 0.3975 0.3975
Giardia lamblia Beta tubulin 0.1092 0.6276 1
Onchocerca volvulus 0.0699 0.3975 1
Onchocerca volvulus 0.0699 0.3975 1
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0699 0.3975 0.6326
Leishmania major beta tubulin 0.1092 0.6276 1
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Loa Loa (eye worm) hypothetical protein 0.0919 0.5266 0.8387
Schistosoma mansoni hypothetical protein 0.0699 0.3975 0.3975
Schistosoma mansoni neuropeptide f receptor 76f 0.0699 0.3975 0.3975
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.003 0.0061 0.0061
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni furin-1 (S08 family) 0.0189 0.0988 0.0988
Schistosoma mansoni opsin-like receptor 0.0699 0.3975 0.3975
Echinococcus granulosus neuropeptide receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0699 0.3975 0.3975
Leishmania major beta tubulin 0.1092 0.6276 1
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Brugia malayi SH2 domain containing protein 0.0054 0.0202 0.0293
Plasmodium falciparum tubulin beta chain 0.1092 0.6276 0.5
Brugia malayi neuropeptide F receptor 0.0699 0.3975 0.6017
Leishmania major beta tubulin 0.1092 0.6276 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus biogenic amine 5HT receptor 0.0699 0.3975 0.3975
Schistosoma mansoni tyrosine kinase 0.0096 0.0445 0.0445
Echinococcus multilocularis Furin 1 0.0102 0.0483 0.0483
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Schistosoma mansoni tyrosine kinase 0.0096 0.0445 0.0445
Loa Loa (eye worm) endoprotease bli-4 0.0433 0.2422 0.3847
Echinococcus granulosus tyrosine kinase 0.0081 0.0357 0.0357
Loa Loa (eye worm) TK protein kinase 0.0066 0.0267 0.0407
Schistosoma mansoni neuropeptide receptor 0.0699 0.3975 0.3975
Brugia malayi Serotonin receptor 0.0699 0.3975 0.6017
Onchocerca volvulus 0.0699 0.3975 1
Loa Loa (eye worm) neuropeptide F receptor 0.0699 0.3975 0.6326
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0699 0.3975 0.6017
Giardia lamblia High cysteine membrane protein Group 2 0.0161 0.0827 0.1309
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Leishmania major beta tubulin 0.1092 0.6276 1
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0102 0.0483 0.0483
Brugia malayi endoprotease bli-4 precursor 0.0433 0.2422 0.366
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0699 0.3975 0.6326
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0096 0.0445 0.0445
Schistosoma mansoni biogenic amine (5HT) receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Echinococcus multilocularis orexin receptor type 2 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis Tubulin beta 2C chain 0.1092 0.6276 0.6276
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0699 0.3975 0.3975
Echinococcus granulosus tm gpcr rhodopsin 0.0699 0.3975 0.3975
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0006 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Trypanosoma brucei unspecified product 0.0034 0.0084 0.0124
Echinococcus granulosus tachykinin peptides receptor 99D 0.0699 0.3975 0.3975
Echinococcus granulosus NCK adaptor protein 0.003 0.0061 0.0061
Echinococcus multilocularis neuropeptides capa receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis g-protein coupled receptor 0.0699 0.3975 0.3975
Echinococcus granulosus allatostatin A receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni hypothetical protein 0.0022 0.0012 0.0012
Brugia malayi Tubulin beta-1 chain 0.1092 0.6276 0.9508
Brugia malayi Tyrosine-protein kinase abl-1 0.0121 0.0594 0.0887
Echinococcus granulosus 7TM GPCR rhodopsin 0.0699 0.3975 0.3975
Schistosoma mansoni neuropeptide receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis tubulin epsilon chain, putative 0.1092 0.6276 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0699 0.3975 0.3975
Echinococcus multilocularis G protein coupled receptor 139 0.0699 0.3975 0.3975
Trichomonas vaginalis leucine-rich repeat protein, BspA family 0.0084 0.0374 0.0409
Schistosoma mansoni amine GPCR 0.0699 0.3975 0.3975
Echinococcus granulosus tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Brugia malayi polk-prov protein 0.0031 0.0064 0.0084
Onchocerca volvulus 0.0699 0.3975 1
Echinococcus granulosus G protein coupled receptor 139 0.0699 0.3975 0.3975
Onchocerca volvulus 0.0699 0.3975 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0096 0.0445 0.0445
Echinococcus multilocularis tyrosine protein kinase csk 0.0039 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.017 0.0879 0.1384
Echinococcus granulosus Tubulin beta 2C chain 0.1092 0.6276 0.6276
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Echinococcus multilocularis growth factor receptor bound protein 2 0.003 0.0061 0.0061
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0699 0.3975 0.3975
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586
Trichomonas vaginalis tubulin beta chain, putative 0.1092 0.6276 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0699 0.3975 0.3975
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Schistosoma mansoni hypothetical protein 0.0022 0.0012 0.0012
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0035 0.0035
Loa Loa (eye worm) tubulin beta chain 0.1092 0.6276 1
Echinococcus granulosus tubulin beta 4A class IVa 0.1092 0.6276 0.6276
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0123 0.0123
Leishmania major beta tubulin 0.1092 0.6276 1
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis tubulin beta 1 chain 0.1092 0.6276 0.6276
Toxoplasma gondii beta-1 tubulin, putative 0.1092 0.6276 0.5
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0035 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Onchocerca volvulus 0.0699 0.3975 1
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Echinococcus granulosus alpha 1A adrenergic receptor 0.0699 0.3975 0.3975
Schistosoma mansoni hypothetical protein 0.0699 0.3975 0.3975
Echinococcus multilocularis serotonin receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis G-protein coupled receptor, putative 0.0699 0.3975 0.3975
Loa Loa (eye worm) G-protein coupled receptor 0.0699 0.3975 0.6326
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Toxoplasma gondii beta-tubulin, putative 0.1092 0.6276 0.5
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0123 0.0114
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Onchocerca volvulus 0.0699 0.3975 1
Schistosoma mansoni biogenic amine receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) TK/ALK protein kinase 0.0026 0.0037 0.004
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0064 0.0093
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0084 0.0124
Trichomonas vaginalis hypothetical protein 0.0084 0.0374 0.0409
Leishmania major beta tubulin 0.1092 0.6276 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.003 0.0061 0.0078
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Loa Loa (eye worm) TK/CSK protein kinase 0.0039 0.0113 0.016
Loa Loa (eye worm) tubulin beta-4 chain 0.1092 0.6276 1
Onchocerca volvulus 0.0699 0.3975 1
Brugia malayi Dopamine receptor 0.0699 0.3975 0.6017
Echinococcus granulosus tyrosine protein kinase Src42A 0.0096 0.0445 0.0445
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0096 0.0445 0.0445
Echinococcus granulosus tyrosine protein kinase Blk 0.0081 0.0357 0.0357
Brugia malayi follicle stimulating hormone receptor 0.0699 0.3975 0.6017
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Echinococcus granulosus tyrosine protein kinase Lyn 0.0096 0.0445 0.0445
Brugia malayi Variant SH3 domain containing protein 0.003 0.0061 0.0079
Onchocerca volvulus 0.0054 0.0202 0.0487
Onchocerca volvulus 0.0699 0.3975 1
Leishmania major beta tubulin 0.1092 0.6276 1
Trypanosoma brucei beta tubulin 0.1092 0.6276 1
Schistosoma mansoni myosin xvIII 0.0699 0.3975 0.3975
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Schistosoma mansoni adenoreceptor 0.0699 0.3975 0.3975
Echinococcus granulosus tyrosine protein kinase csk 0.0039 0.0113 0.0113
Echinococcus granulosus somatostatin receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0699 0.3975 0.3975
Giardia lamblia Beta tubulin 0.1092 0.6276 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0699 0.3975 0.3975
Brugia malayi neuropeptide F receptor 0.0699 0.3975 0.6017
Echinococcus granulosus serotonin receptor 0.0699 0.3975 0.3975
Schistosoma mansoni amine GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis neuroendocrine convertase 2 0.0272 0.1479 0.1479
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0699 0.3975 0.6017
Trypanosoma brucei beta tubulin 0.1092 0.6276 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Brugia malayi protein-tyrosine kinase 0.0081 0.0357 0.0528
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0035 0.0086 0.0086
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0699 0.3975 0.3975
Schistosoma mansoni biogenic amine receptor 0.0699 0.3975 0.3975
Echinococcus granulosus 7tm_1 domain containing protein 0.0699 0.3975 0.3975
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0699 0.3975 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0699 0.3975 0.3975
Schistosoma mansoni amine GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus Tubulin beta 2C chain 0.1092 0.6276 0.6276
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Onchocerca volvulus 0.0699 0.3975 1
Schistosoma mansoni growth factor receptor-bound protein 0.003 0.0061 0.0061
Echinococcus multilocularis dro:myosuppressin receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) tubulin beta-2A chain 0.1092 0.6276 1
Giardia lamblia Beta tubulin 0.1092 0.6276 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0699 0.3975 0.3975
Echinococcus granulosus beta tubulin 0.1092 0.6276 0.6276
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Loa Loa (eye worm) BEN-1 protein 0.1092 0.6276 1
Schistosoma mansoni neuropeptide receptor 0.0699 0.3975 0.3975
Trypanosoma brucei beta tubulin 0.1092 0.6276 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0121 0.0594 0.0594
Loa Loa (eye worm) TYRA-2 protein 0.0699 0.3975 0.6326
Echinococcus granulosus Tubulin beta 2C chain 0.1092 0.6276 0.6276
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0699 0.3975 0.3975
Trypanosoma brucei RNA helicase, putative 0.0101 0.0474 0.0747
Onchocerca volvulus 0.0699 0.3975 1
Schistosoma mansoni nck2/grb4 0.003 0.0061 0.0061
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0123 0.0114
Brugia malayi ORL1-like opioid receptor 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0031 0.0064 0.0084
Schistosoma mansoni hypothetical protein 0.0699 0.3975 0.3975
Echinococcus multilocularis g protein coupled receptor 0.0699 0.3975 0.3975
Brugia malayi hypothetical protein 0.0022 0.0012 0.0005
Leishmania major beta tubulin 0.1092 0.6276 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Echinococcus granulosus dna polymerase kappa 0.0041 0.0123 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus granulosus tm gpcr rhodopsin 0.1706 0.9875 0.9875
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis sex peptide receptor 0.0699 0.3975 0.3975
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0699 0.3975 0.3975
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Brugia malayi Variant SH3 domain containing protein 0.003 0.0061 0.0079
Onchocerca volvulus 0.0022 0.0012 0.0008
Echinococcus multilocularis neuropeptide FF receptor 2 0.0919 0.5266 0.5266
Schistosoma mansoni hypothetical protein 0.0101 0.0474 0.0474
Brugia malayi RE15519p 0.0699 0.3975 0.6017
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0029 0.0051 0.0072
Echinococcus multilocularis beta tubulin 0.1092 0.6276 0.6276
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0096 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Trypanosoma cruzi beta tubulin, putative 0.1092 0.6276 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0123 0.5
Onchocerca volvulus 0.0699 0.3975 1
Entamoeba histolytica tubulin family protein 0.1092 0.6276 1
Echinococcus multilocularis dnaJ subfamily B 0.1728 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Loa Loa (eye worm) melatonin receptor type 1A 0.0699 0.3975 0.6326
Echinococcus multilocularis fmrfamide receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0699 0.3975 0.3975
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0123 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0096 0.0445 0.0445
Loa Loa (eye worm) G-protein coupled receptor 0.0699 0.3975 0.6326
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni growth hormone secretagogue receptor 0.0699 0.3975 0.3975
Echinococcus granulosus tubulin beta 1 chain 0.1092 0.6276 0.6276
Echinococcus granulosus tyrosine protein kinase Src42A 0.0077 0.0332 0.0332
Schistosoma mansoni adapter molecule crk 0.003 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Leishmania major beta tubulin 0.1092 0.6276 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0433 0.2422 0.2422
Brugia malayi GnHR receptor homolog 0.1147 0.6601 1
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0014
Brugia malayi celfurPC protein 0.035 0.1931 0.2915
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0022 0.0014 0.0014
Echinococcus multilocularis tyrosine protein kinase HCK 0.0066 0.0267 0.0267
Brugia malayi G protein-coupled receptor 0.0699 0.3975 0.6017
Onchocerca volvulus 0.0699 0.3975 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0699 0.3975 1
Brugia malayi SRC-1 0.0096 0.0445 0.0661
Echinococcus granulosus orexin receptor type 2 0.0699 0.3975 0.3975
Loa Loa (eye worm) tubulin beta-1 chain 0.1092 0.6276 1
Schistosoma mansoni tyrosine kinase 0.0231 0.1236 0.1236
Echinococcus granulosus g-protein coupled receptor 0.0699 0.3975 0.3975
Brugia malayi Serotonin receptor 0.0699 0.3975 0.6017
Onchocerca volvulus 0.0022 0.0012 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Echinococcus multilocularis somatostatin receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0433 0.2422 0.3847
Loa Loa (eye worm) hypothetical protein 0.0091 0.0416 0.0645
Echinococcus multilocularis neuropeptide s receptor 0.0699 0.3975 0.3975
Giardia lamblia Furin precursor putative serine protease 0.0084 0.0374 0.0587
Brugia malayi Melatonin receptor type 1A 0.0699 0.3975 0.6017
Echinococcus granulosus tubulin subunit beta 0.1092 0.6276 0.6276
Brugia malayi Protein kinase domain containing protein 0.0026 0.0037 0.0043
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0123 0.0186
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Echinococcus granulosus tm gpcr rhodopsin 0.0699 0.3975 0.3975
Trichomonas vaginalis proprotein convertase subtilisin/kexin type, putative 0.0084 0.0374 0.0409
Brugia malayi AKH receptor 0.0699 0.3975 0.6017
Echinococcus granulosus neuropeptide Y receptor 0.0699 0.3975 0.3975
Brugia malayi putative neuropeptide receptor 0.0699 0.3975 0.6017
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0263 0.1426 0.2118
Echinococcus multilocularis neuropeptide receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis tubulin alpha chain, putative 0.1092 0.6276 1
Echinococcus granulosus MAM 0.0022 0.0012 0.0012
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Schistosoma mansoni neuropeptide F-like receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis tubulin, putative 0.1092 0.6276 1
Echinococcus granulosus hypothetical protein 0.0699 0.3975 0.3975
Echinococcus granulosus g protein coupled receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) hypothetical protein 0.0699 0.3975 0.6326
Echinococcus multilocularis Tubulin beta 2C chain 0.1092 0.6276 0.6276
Echinococcus granulosus neuroendocrine convertase 2 0.0272 0.1479 0.1479
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Echinococcus multilocularis neuropeptide Y receptor 0.0699 0.3975 0.3975
Schistosoma mansoni tubulin subunit beta 0.1092 0.6276 0.6276
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0096 0.0445 0.0445
Echinococcus granulosus tyrosine protein kinase Src64B 0.0096 0.0445 0.0445
Onchocerca volvulus 0.0699 0.3975 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0699 0.3975 0.6326
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0077 0.0332 0.0332
Plasmodium vivax tubulin beta chain, putative 0.1092 0.6276 0.5
Brugia malayi hypothetical protein 0.0699 0.3975 0.6017
Brugia malayi Tachykinin-like peptides receptor 99D 0.0919 0.5266 0.7975
Loa Loa (eye worm) TK protein kinase 0.0081 0.0357 0.0551
Echinococcus multilocularis Tubulin beta 2C chain 0.1092 0.6276 0.6276
Trichomonas vaginalis tubulin epsilon chain, putative 0.1092 0.6276 1
Onchocerca volvulus 0.0699 0.3975 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0699 0.3975 0.3975
Brugia malayi putative neuropeptide receptor NPR1 0.0699 0.3975 0.6017
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Entamoeba histolytica tubulin family protein 0.1092 0.6276 1
Echinococcus multilocularis tyrosine protein kinase csk 0.0039 0.0113 0.0113
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0699 0.3975 0.3975
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0699 0.3975 0.3975
Echinococcus granulosus neuropeptide Y receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0096 0.0445 0.0445
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0699 0.3975 0.3975
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586
Echinococcus multilocularis allatostatin A receptor 0.0699 0.3975 0.3975
Brugia malayi larval opioid receptor 0.0699 0.3975 0.6017
Echinococcus granulosus furin 0.0433 0.2422 0.2422
Echinococcus granulosus Tubulin beta 2C chain 0.1092 0.6276 0.6276
Echinococcus multilocularis serotonin receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) SH2 domain-containing protein 0.005 0.0177 0.0264
Schistosoma mansoni amine GPCR 0.0699 0.3975 0.3975
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0064 0.0093
Echinococcus multilocularis neuropeptide receptor A26 0.0699 0.3975 0.3975
Brugia malayi neuroendocrine convertase 1 precursor 0.0272 0.1479 0.2229
Echinococcus multilocularis neuropeptides capa receptor 0.0699 0.3975 0.3975
Echinococcus multilocularis fmrfamide receptor 0.0699 0.3975 0.3975
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0699 0.3975 0.6326
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0078
Echinococcus granulosus rhodopsin orphan GPCR 0.0699 0.3975 0.3975
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0246 0.1326 0.1326
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Echinococcus granulosus sex peptide receptor 0.0699 0.3975 0.3975
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0699 0.3975 0.3975
Echinococcus granulosus neuropeptide receptor A26 0.0699 0.3975 0.3975
Loa Loa (eye worm) variant SH3 domain-containing protein 0.003 0.0061 0.0078
Onchocerca volvulus 0.0699 0.3975 1
Brugia malayi Tyrosine-protein kinase abl-1 0.014 0.0703 0.1053
Echinococcus multilocularis neuropeptide Y receptor 0.0699 0.3975 0.3975
Brugia malayi G-protein coupled receptor 0.0699 0.3975 0.6017
Schistosoma mansoni amine GPCR 0.0699 0.3975 0.3975
Schistosoma mansoni neuropeptide F-like receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0374 0.0409
Echinococcus granulosus tyrosine protein kinase ABL1 0.0246 0.1326 0.1326
Echinococcus granulosus Furin 1 0.0102 0.0483 0.0483
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0699 0.3975 0.3975
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0102 0.0483 0.0586

Activities

Activity type Activity value Assay description Source Reference
Death dose (ADMET) = 20 mg kg-1 Toxicity of the compound was tested in mice administered subcutaneously ChEMBL. 12729652
Inhibition (functional) = 0 % In vivo analgesic activity of the compound evaluated by using acetic acid writhing test in mice administered subcutaneously at a dose of 2 mg/kg ChEMBL. 12729652
Inhibition (functional) = 0 % In vivo analgesic activity of the compound evaluated by using acetic acid writhing test in mice administered subcutaneously at a dose of 2 mg/kg ChEMBL. 12729652
Inhibition (functional) = 47.7 % In vivo sedative activity of the compound evaluated by using acetic acid writhing test in mice administered subcutaneously at a dose of 2 mg/kg ChEMBL. 12729652
Inhibition (functional) = 47.7 % In vivo sedative activity of the compound evaluated by using acetic acid writhing test in mice administered subcutaneously at a dose of 2 mg/kg ChEMBL. 12729652

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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