Detailed information for compound 329005

Basic information

Technical information
  • TDR Targets ID: 329005
  • Name: 1-(2-dimethylaminoethylamino)-N-[3-[3-[[1-(2- dimethylaminoethylamino)-9-oxo-10H-acridine-4 -carbonyl]amino]propyl-methylamino]propyl]-9- oxo-10H-acridine-4-carboxamide
  • MW: 759.939 | Formula: C43H53N9O4
  • H donors: 6 H acceptors: 4 LogP: 6.18 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 3
  • SMILES: CN(CCCNC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)NCCN(C)C)CCCNC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)NCCN(C)C
  • InChi: 1S/C43H53N9O4/c1-50(2)26-22-44-34-18-16-30(38-36(34)40(53)28-12-6-8-14-32(28)48-38)42(55)46-20-10-24-52(5)25-11-21-47-43(56)31-17-19-35(45-23-27-51(3)4)37-39(31)49-33-15-9-7-13-29(33)41(37)54/h6-9,12-19,44-45H,10-11,20-27H2,1-5H3,(H,46,55)(H,47,56)(H,48,53)(H,49,54)
  • InChiKey: MYOUXJUOPPYYMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-dimethylaminoethylamino)-N-[3-[3-[[1-(2-dimethylaminoethylamino)-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methyl-amino]propyl]-9-oxo-10H-acridine-4-carboxamide
  • 1-(2-dimethylaminoethylamino)-N-[3-[3-[[[1-(2-dimethylaminoethylamino)-9-oxo-10H-acridin-4-yl]-oxomethyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide
  • 1-(2-dimethylaminoethylamino)-N-[3-[3-[[1-(2-dimethylaminoethylamino)-9-oxo-10H-acridin-4-yl]carbonylamino]propyl-methyl-amino]propyl]-9-oxo-10H-acridine-4-carboxamide
  • 1-(2-dimethylaminoethylamino)-N-[3-[3-[[1-(2-dimethylaminoethylamino)-9-keto-10H-acridine-4-carbonyl]amino]propyl-methyl-amino]propyl]-9-keto-10H-acridine-4-carboxamide
  • 1-(2-dimethylaminoethylamino)-N-[3-[3-[[1-(2-dimethylaminoethylamino)-9-oxo10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide
  • NCI60_041358

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
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0024 0.0285 0.0285
Echinococcus multilocularis carboxylesterase 5A 0.014 0.534 0.534
Schistosoma mansoni growth hormone secretagogue receptor 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0285 0.0437
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0068 0.0068
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4383 0.4383
Echinococcus granulosus geminin 0.0167 0.6533 0.6533
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.074 0.074
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi AKH receptor 0.0019 0.0068 0.0068
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.0935 0.0935
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus granulosus hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.034 0.3632
Brugia malayi Carboxylesterase family protein 0.014 0.534 0.534
Echinococcus multilocularis neuropeptide receptor A26 0.0019 0.0068 0.0068
Loa Loa (eye worm) TYRA-2 protein 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.1133
Loa Loa (eye worm) hypothetical protein 0.0108 0.3943 0.3943
Brugia malayi neuropeptide F receptor 0.0019 0.0068 0.0068
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni amine GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0019 0.0068 0.0103
Schistosoma mansoni biogenic amine receptor 0.0019 0.0068 0.0103
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0024 0.0285 0.0285
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0935 1
Echinococcus granulosus fmrfamide receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0068 0.0068
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.076 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0019 0.0068 0.0068
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0935 1
Brugia malayi sulfakinin receptor protein 0.0019 0.0068 0.0068
Schistosoma mansoni ap endonuclease 0.002 0.0141 0.0216
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.2461 0.2461
Echinococcus granulosus neuropeptide receptor 0.0019 0.0068 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Schistosoma mansoni neuropeptide F-like receptor 0.0019 0.0068 0.0103
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.0935 0.0935
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.1133
Onchocerca volvulus 0.0024 0.0285 0.1576
Schistosoma mansoni neuropeptide f receptor 76f 0.0019 0.0068 0.0103
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0019 0.0068 0.0103
Schistosoma mansoni BC026374 protein (S09 family) 0.0024 0.0285 0.0437
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0019 0.0068 0.0103
Echinococcus granulosus allatostatin A receptor 0.0019 0.0068 0.0068
Trichomonas vaginalis spcc417.12 protein, putative 0.0024 0.0285 0.1812
Echinococcus multilocularis neuropeptide Y receptor 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0167 0.6533 1
Brugia malayi Inositol-1 0.0039 0.0935 0.0935
Echinococcus multilocularis serotonin receptor 0.0019 0.0068 0.0068
Brugia malayi larval opioid receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Echinococcus granulosus g-protein coupled receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.0935 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0019 0.0068 0.0103
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0019 0.0068 0.0068
Schistosoma mansoni neuropeptide receptor 0.0019 0.0068 0.0103
Echinococcus granulosus neuropeptide Y receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) carboxylesterase 0.0024 0.0285 0.0285
Mycobacterium tuberculosis Carboxylesterase LipT 0.0024 0.0285 0.3755
Schistosoma mansoni biogenic amine (5HT) receptor 0.0019 0.0068 0.0103
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.034 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis neuropeptide s receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.1133
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0019 0.0068 0.0068
Brugia malayi Melatonin receptor type 1A 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Onchocerca volvulus 0.0024 0.0285 0.1576
Schistosoma mansoni gliotactin 0.0024 0.0285 0.0437
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Loa Loa (eye worm) melatonin receptor type 1A 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Schistosoma mansoni hypothetical protein 0.0074 0.2461 0.3766
Echinococcus granulosus acetylcholinesterase 0.014 0.534 0.534
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0019 0.0068 0.0068
Brugia malayi hypothetical protein 0.0025 0.034 0.034
Brugia malayi MH2 domain containing protein 0.0118 0.4383 0.4383
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Schistosoma mansoni inositol monophosphatase 0.0039 0.0935 0.1432
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis geminin 0.0167 0.6533 0.6533
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.034 0.3632
Echinococcus multilocularis allatostatin A receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0019 0.0068 0.0068
Echinococcus granulosus biogenic amine 5HT receptor 0.0019 0.0068 0.0068
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.014 0.534 0.8173
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0068 0.0068
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0068 0.0068
Brugia malayi G protein-coupled receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis orexin receptor type 2 0.0019 0.0068 0.0068
Echinococcus granulosus alpha 1A adrenergic receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis survival motor neuron protein 1 0.0247 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0141 0.0141
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.034 0.3632
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus multilocularis G-protein coupled receptor, putative 0.0019 0.0068 0.0068
Echinococcus granulosus sex peptide receptor 0.0019 0.0068 0.0068
Onchocerca volvulus 0.0024 0.0285 0.1576
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0019 0.0068 0.0068
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0019 0.0068 0.0103
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Brugia malayi Carboxylesterase family protein 0.0024 0.0285 0.0285
Echinococcus multilocularis fmrfamide receptor 0.0019 0.0068 0.0068
Schistosoma mansoni neuroligin 3 (S09 family) 0.0024 0.0285 0.0437
Schistosoma mansoni neuropeptide receptor 0.0019 0.0068 0.0103
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0935 1
Schistosoma mansoni ap endonuclease 0.002 0.0141 0.0216
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.1449 0.1449
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0141 0.0141
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0141 0.1511
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0074 0.2461 0.2461
Brugia malayi RE15519p 0.0019 0.0068 0.0068
Schistosoma mansoni acetylcholinesterase 0.0024 0.0285 0.0437
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.074 0.074
Brugia malayi Carboxylesterase family protein 0.0024 0.0285 0.0285
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0141 0.416
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni neuropeptide receptor 0.0019 0.0068 0.0103
Echinococcus granulosus para nitrobenzyl esterase 0.0024 0.0285 0.0285
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.034 1
Brugia malayi Dopamine receptor protein 2 0.0019 0.0068 0.0068
Brugia malayi Latrophilin receptor protein 2 0.0034 0.074 0.074
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni biogenic amine receptor 0.0019 0.0068 0.0103
Echinococcus multilocularis neuropeptide FF receptor 2 0.0019 0.0068 0.0068
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.3943 0.3943
Echinococcus multilocularis neuropeptides capa receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0019 0.0068 0.0068
Brugia malayi putative neuropeptide receptor NPR1 0.0019 0.0068 0.0068
Echinococcus granulosus biogenic amine 5HT receptor 0.0019 0.0068 0.0068
Onchocerca volvulus 0.005 0.1449 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus multilocularis neuroligin 0.0024 0.0285 0.0285
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi Serotonin receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi Dopamine receptor protein 1 0.0019 0.0068 0.0068
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0141 0.1511
Echinococcus granulosus dro:myosuppressin receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis para nitrobenzyl esterase 0.0024 0.0285 0.0285
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus granulosus g protein coupled receptor 0.0019 0.0068 0.0068
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) acetylcholinesterase 1 0.014 0.534 0.534
Schistosoma mansoni amine GPCR 0.0019 0.0068 0.0103
Echinococcus granulosus G protein coupled receptor 139 0.0019 0.0068 0.0068
Schistosoma mansoni neuropeptide F-like receptor 0.0019 0.0068 0.0103
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0285 0.0437
Loa Loa (eye worm) hypothetical protein 0.0247 1 1
Schistosoma mansoni biogenic amine receptor 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.014 0.534 0.534
Echinococcus multilocularis g-protein coupled receptor 0.0019 0.0068 0.0068
Brugia malayi neuropeptide F receptor 0.0019 0.0068 0.0068
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0141 0.5
Schistosoma mansoni hypothetical protein 0.005 0.1449 0.2217
Toxoplasma gondii exonuclease III APE 0.002 0.0141 0.1511
Brugia malayi Carboxylesterase family protein 0.0024 0.0285 0.0285
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0019 0.0068 0.0068
Schistosoma mansoni histamine h1 receptor 0.0019 0.0068 0.0103
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) neuropeptide F receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis neuropeptide Y receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.0935 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.074 0.074
Schistosoma mansoni neuropeptide receptor 0.0019 0.0068 0.0103
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0285 0.3755
Echinococcus granulosus neuropeptides capa receptor 0.0019 0.0068 0.0068
Echinococcus granulosus g protein coupled receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) carboxylesterase 0.014 0.534 0.534
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0019 0.0068 0.0103
Echinococcus granulosus 7tm_1 domain containing protein 0.0019 0.0068 0.0068
Echinococcus granulosus neuropeptide s receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Onchocerca volvulus 0.0024 0.0285 0.1576
Echinococcus multilocularis GPCR, family 2 0.0034 0.074 0.074
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0019 0.0068 0.0068
Echinococcus granulosus survival motor neuron protein 1 0.0247 1 1
Echinococcus multilocularis acetylcholinesterase 0.014 0.534 0.534
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0068 0.0068
Mycobacterium ulcerans carboxylesterase, LipT 0.0024 0.0285 0.1812
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4383 0.4383
Brugia malayi Tachykinin-like peptides receptor 99D 0.0019 0.0068 0.0068
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0141 0.0141
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Leishmania major hypothetical protein, conserved 0.0025 0.034 0.3632
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) inositol-1 0.0039 0.0935 0.0935
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.3943 0.3943
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0103
Schistosoma mansoni amine GPCR 0.0019 0.0068 0.0103
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0103
Echinococcus granulosus neuropeptide FF receptor 2 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0103
Brugia malayi putative neuropeptide receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis fmrfamide receptor 0.0019 0.0068 0.0068
Echinococcus granulosus neuropeptide receptor A26 0.0019 0.0068 0.0068
Echinococcus granulosus orexin receptor type 2 0.0019 0.0068 0.0068
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Schistosoma mansoni adenoreceptor 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.014 0.534 0.534
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi G-protein coupled receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0019 0.0068 0.0068
Brugia malayi Dopamine receptor 0.0019 0.0068 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus multilocularis neuropeptide receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni amine GPCR 0.0019 0.0068 0.0103
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.0935 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.074 0.074
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0019 0.0068 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus granulosus 7TM GPCR rhodopsin 0.0019 0.0068 0.0068
Onchocerca volvulus 0.0024 0.0285 0.1576
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.034 1
Echinococcus granulosus acetylcholinesterase 0.014 0.534 0.534
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.0935 1
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi G protein-coupled receptor F59B2.13 0.0019 0.0068 0.0068
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0285 0.0437
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0141 0.1511
Echinococcus granulosus GPCR family 2 0.0034 0.074 0.074
Echinococcus multilocularis G protein coupled receptor 139 0.0019 0.0068 0.0068
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.076 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0019 0.0068 0.0068
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0285 0.3755
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0141 0.416
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Echinococcus granulosus g protein coupled receptor 0.0019 0.0068 0.0068
Brugia malayi G-protein coupled receptor 0.0019 0.0068 0.0068
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0019 0.0068 0.0103
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0024 0.0285 0.1812
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni myosin xvIII 0.0019 0.0068 0.0103
Echinococcus multilocularis g protein coupled receptor 0.0019 0.0068 0.0068
Schistosoma mansoni opsin-like receptor 0.0019 0.0068 0.0103
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0019 0.0068 0.0103
Schistosoma mansoni survival motor neuron protein 0.005 0.1449 0.2217
Echinococcus multilocularis sex peptide receptor 0.0019 0.0068 0.0068
Echinococcus granulosus tachykinin peptides receptor 99D 0.0019 0.0068 0.0068
Echinococcus multilocularis rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0019 0.0068 0.0103
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) hypothetical protein 0.0024 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.3943 0.3943
Echinococcus multilocularis neuropeptide receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis somatostatin receptor 0.0019 0.0068 0.0068
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.074 0.074
Echinococcus granulosus neuropeptides capa receptor 0.0019 0.0068 0.0068
Brugia malayi hypothetical protein 0.0024 0.0285 0.0285
Schistosoma mansoni biogenic amine (5HT) receptor 0.0019 0.0068 0.0103
Echinococcus granulosus neuropeptide receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni opsin-like receptor 0.0019 0.0068 0.0103
Echinococcus multilocularis acetylcholinesterase 0.014 0.534 0.534
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0019 0.0068 0.0068
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0019 0.0068 0.0068
Brugia malayi ORL1-like opioid receptor 0.0019 0.0068 0.0068
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.0935 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.034 0.034
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Brugia malayi hypothetical protein 0.0019 0.0068 0.0068
Echinococcus granulosus neuroligin 0.0024 0.0285 0.0285
Schistosoma mansoni hypothetical protein 0.0034 0.074 0.1133
Echinococcus granulosus rhodopsin orphan GPCR 0.0019 0.0068 0.0068
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0019 0.0068 0.0068
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0068 0.0068
Schistosoma mansoni amine GPCR 0.0019 0.0068 0.0103
Loa Loa (eye worm) G-protein coupled receptor 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0167 0.6533 1
Echinococcus granulosus carboxylesterase 5A 0.014 0.534 0.534
Brugia malayi Carboxylesterase family protein 0.014 0.534 0.534
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis dro:myosuppressin receptor 0.0019 0.0068 0.0068
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0935 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0019 0.0068 0.0068
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0141 0.1861
Brugia malayi Serotonin receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.074 0.074
Echinococcus granulosus BC026374 protein S09 family 0.0024 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Echinococcus multilocularis neuropeptides capa receptor 0.0019 0.0068 0.0068
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0019 0.0068 0.0068
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0019 0.0068 0.0103
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.074 0.074
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Schistosoma mansoni opsin-like receptor 0.0019 0.0068 0.0103
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0141 0.1511
Brugia malayi GnHR receptor homolog 0.0019 0.0068 0.0068
Brugia malayi Carboxylesterase family protein 0.0024 0.0285 0.0285
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0019 0.0068 0.0103
Echinococcus granulosus neuropeptide Y receptor 0.0019 0.0068 0.0068
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.034 0.3632
Loa Loa (eye worm) carboxylesterase 0.0024 0.0285 0.0285
Echinococcus granulosus tm gpcr rhodopsin 0.0019 0.0068 0.0068
Echinococcus granulosus serotonin receptor 0.0019 0.0068 0.0068
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0019 0.0068 0.0103
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0019 0.0068 0.0068
Echinococcus multilocularis BC026374 protein (S09 family) 0.0024 0.0285 0.0285
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0019 0.0068 0.0068
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0141 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 0.0935 0.1432
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.0935 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0019 0.0068 0.0103
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0019 0.0068 0.0068
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0019 0.0068 0.0103
Echinococcus granulosus somatostatin receptor 0.0019 0.0068 0.0068
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.0935 1
Echinococcus multilocularis serotonin receptor 0.0019 0.0068 0.0068
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0019 0.0068 0.0068
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0019 0.0068 0.0068
Brugia malayi follicle stimulating hormone receptor 0.0019 0.0068 0.0068
Echinococcus granulosus peptide allatostatin:somatostatin 0.0019 0.0068 0.0068

Activities

Activity type Activity value Assay description Source Reference
Binding site preference (binding) = 10 Binding site preference is determined as the ratio of Poly (dA-dT)2 to Poly (dG-dC)2 ChEMBL. 15456268
IC50 (functional) = 57 nM Cytotoxicity of the compound is determined as the concentration required to inhibit the growth of human colon adenocarcinoma (HT-29) cell line ChEMBL. 15456268
IC50 (functional) = 57 nM Cytotoxicity of the compound is determined as the concentration required to inhibit the growth of human colon adenocarcinoma (HT-29) cell line ChEMBL. 15456268
K app (binding) = 0.79 10e-7/M Concentration required to displace ethidium from [poly(dG-dC)]2 (GC) was determined from fluorescence binding studies ChEMBL. 15456268
K app (binding) = 6.3 10e-7/M Concentration required to displace ethidium from CT-DNA was determined from fluorescence binding studies ChEMBL. 15456268
K app (binding) = 8.2 10e-7/M Concentration required to displace ethidium from [poly(dA-dT)]2 (AT) was determined from fluorescence binding studies ChEMBL. 15456268

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15456268

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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