Detailed information for compound 64634

Basic information

Technical information
  • TDR Targets ID: 64634
  • Name: 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triaz onan-1-yl]-2-[[2-[4,7-bis(7-chloroquinolin-4- yl)-1,4,7-triazonan-1-yl]-2-oxoethyl]amino]et hanone
  • MW: 1001.83 | Formula: C52H49Cl4N11O2
  • H donors: 1 H acceptors: 6 LogP: 9.26 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc2c(c1)nccc2N1CCN(CCN(CC1)c1ccnc2c1ccc(c2)Cl)C(=O)CNCC(=O)N1CCN(CCN(CC1)c1ccnc2c1ccc(c2)Cl)c1ccnc2c1ccc(c2)Cl
  • InChi: 1S/C52H49Cl4N11O2/c53-35-1-5-39-43(29-35)58-13-9-47(39)62-17-18-63(48-10-14-59-44-30-36(54)2-6-40(44)48)22-26-66(25-21-62)51(68)33-57-34-52(69)67-27-23-64(49-11-15-60-45-31-37(55)3-7-41(45)49)19-20-65(24-28-67)50-12-16-61-46-32-38(56)4-8-42(46)50/h1-16,29-32,57H,17-28,33-34H2
  • InChiKey: JINHFBADYINKHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-[[2-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-oxo-ethyl]amino]ethanone
  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-[[2-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-oxoethyl]amino]ethanone
  • 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-2-[[2-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-2-oxo-ethyl]amino]ethanone
  • 1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-[[2-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]-2-keto-ethyl]amino]ethanone

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
Echinococcus granulosus G protein coupled receptor 139 0.00718827 0.0728008 0.0786465
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Brugia malayi Melatonin receptor type 1A 0.00718827 0.0728008 0.0722209
Plasmodium vivax tubulin beta chain, putative 0.0155177 0.222694 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0159935 0.231257 0.231257
Echinococcus multilocularis fmrfamide receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Schistosoma mansoni hypothetical protein 0.00766882 0.0814487 0.121102
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi Unc-6 protein precursor 0.0127011 0.172008 0.171491
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.00538227 0.0403006 0.0435366
Echinococcus multilocularis alpha 2 macroglobulin 0.032879 0.535123 0.578092
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Echinococcus granulosus neuropeptide Y receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus neuropeptide receptor A26 0.00718827 0.0728008 0.0786465
Schistosoma mansoni biogenic amine (5HT) receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus 7TM GPCR rhodopsin 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi complement component C3-like protein 0.0120687 0.160627 0.160102
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis tachykinin peptides receptor 99D 0.00718827 0.0728008 0.0786465
Onchocerca volvulus 0.0537145 0.910072 1
Echinococcus granulosus biogenic amine 5HT receptor 0.00718827 0.0728008 0.0786465
Trichomonas vaginalis STE family protein kinase 0.0258829 0.409223 1
Schistosoma mansoni opsin-like receptor 0.00718827 0.0728008 0.108244
Toxoplasma gondii beta-1 tubulin, putative 0.0155177 0.222694 0.5
Giardia lamblia Kinase, STE STE20 0.0258829 0.409223 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.00718827 0.0728008 0.0786465
Echinococcus granulosus neuropeptides capa receptor 0.00718827 0.0728008 0.0786465
Brugia malayi larval opioid receptor 0.00718827 0.0728008 0.0722209
Schistosoma mansoni netrin 0.0127011 0.172008 0.255751
Echinococcus granulosus tachykinin peptides receptor 99D 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus membrane associated guanylate kinase ww and pdz 0.00383826 0.0125151 0.01352
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus g protein coupled receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) beta-tubulin 0.0155177 0.222694 0.222694
Brugia malayi Dopamine receptor 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni hypothetical protein 0.00538227 0.0403006 0.059921
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.00718827 0.0728008 0.0786465
Echinococcus granulosus peptide allatostatin:somatostatin 0.00718827 0.0728008 0.0786465
Brugia malayi Serotonin/octopamine receptor family protein 7 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis fmrfamide receptor 0.00718827 0.0728008 0.0786465
Brugia malayi GnHR receptor homolog 0.00718827 0.0728008 0.0722209
Echinococcus granulosus cd109 antigen 0.03056 0.493392 0.53301
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00766882 0.0814487 0.0814487
Echinococcus multilocularis sex peptide receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus tubulin subunit beta 0.0155177 0.222694 0.240576
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni biogenic amine (5HT) receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus neuropeptide s receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni neuropeptide f receptor 76f 0.00718827 0.0728008 0.108244
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Brugia malayi hypothetical protein 0.0150055 0.213476 0.212985
Onchocerca volvulus 0.0120687 0.160627 0.104896
Schistosoma mansoni opsin-like receptor 0.00718827 0.0728008 0.108244
Brugia malayi Calcitonin receptor-like protein seb-1 0.0242373 0.379609 0.379221
Trichomonas vaginalis STE family protein kinase 0.0258829 0.409223 1
Brugia malayi AKH receptor 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus tm gpcr rhodopsin 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis serotonin receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni neuropeptide receptor 0.00718827 0.0728008 0.108244
Brugia malayi Alpha-2-macroglobulin family N-terminal region containing protein 0.00876682 0.101208 0.100646
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni amine GPCR 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.00718827 0.0728008 0.0728008
Echinococcus granulosus g protein coupled receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni biogenic amine (dopamine) receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni myosin xvIII 0.00718827 0.0728008 0.108244
Schistosoma mansoni amine GPCR 0.00718827 0.0728008 0.108244
Echinococcus granulosus g protein coupled receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.00718827 0.0728008 0.108244
Echinococcus multilocularis dual specificity mitogen activated protein 0.0258829 0.409223 0.442083
Onchocerca volvulus 0.0150055 0.213476 0.168017
Schistosoma mansoni neuropeptide receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus allatostatin A receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.0120687 0.160627 0.160627
Echinococcus granulosus neuropeptide Y receptor 0.00718827 0.0728008 0.0786465
Trichomonas vaginalis STE family protein kinase 0.0258829 0.409223 1
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0258829 0.409223 0.409223
Brugia malayi Latrophilin receptor protein 2 0.00766882 0.0814487 0.0808741
Entamoeba histolytica tubulin family protein 0.0155177 0.222694 0.5
Loa Loa (eye worm) tubulin beta-2A chain 0.0155177 0.222694 0.222694
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi A-macroglobulin complement component family protein 0.032879 0.535123 0.534832
Brugia malayi RE15519p 0.00718827 0.0728008 0.0722209
Schistosoma mansoni amine GPCR 0.00718827 0.0728008 0.108244
Echinococcus multilocularis neuropeptide receptor A26 0.00718827 0.0728008 0.0786465
Brugia malayi G protein-coupled receptor 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) G-protein coupled receptor 0.00718827 0.0728008 0.0728008
Echinococcus granulosus GPCR family 2 0.00766882 0.0814487 0.0879888
Echinococcus granulosus netrin 1 0.0127011 0.172008 0.18582
Echinococcus granulosus dro:myosuppressin receptor 0.00718827 0.0728008 0.0786465
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0540354 0.915847 0.915794
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi follicle stimulating hormone receptor 0.00718827 0.0728008 0.0722209
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni neuropeptide F-like receptor 0.00718827 0.0728008 0.108244
Echinococcus multilocularis GPCR, family 2 0.00766882 0.0814487 0.0879888
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni neuropeptide receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus alpha 1A adrenergic receptor 0.00718827 0.0728008 0.0786465
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0258829 0.409223 0.408854
Plasmodium falciparum tubulin beta chain 0.0155177 0.222694 0.5
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus fmrfamide receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus tubulin beta 4A class IVa 0.0155177 0.222694 0.240576
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.00718827 0.0728008 0.0722209
Toxoplasma gondii beta tubulin 0.0155177 0.222694 0.5
Loa Loa (eye worm) hypothetical protein 0.0120687 0.160627 0.160627
Schistosoma mansoni hypothetical protein 0.00766882 0.0814487 0.121102
Echinococcus multilocularis neuropeptide receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis neuropeptides capa receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus neuropeptides capa receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus integrin beta 2 0.0507649 0.856993 0.925807
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni hypothetical protein 0.00766882 0.0814487 0.121102
Echinococcus granulosus Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus multilocularis tubulin subunit beta 0.0155177 0.222694 0.240576
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.037467 0.617687 0.667285
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus sex peptide receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) tubulin beta-1 chain 0.0155177 0.222694 0.222694
Schistosoma mansoni peptide (allatostatin)-like receptor 0.00718827 0.0728008 0.108244
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis integrin beta 2 0.0507649 0.856993 0.925807
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis biogenic amine (5HT) receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.00766882 0.0814487 0.0879888
Schistosoma mansoni histamine h1 receptor 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) A-macroglobulin complement component family protein 0.032879 0.535123 0.535123
Loa Loa (eye worm) hypothetical protein 0.00538227 0.0403006 0.0403006
Schistosoma mansoni neuropeptide receptor 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.0102486 0.127873 0.127873
Brugia malayi beta-tubulin, identical 0.0155177 0.222694 0.222208
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Schistosoma mansoni alpha-1 adrenergic receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni biogenic amine receptor 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) tubulin beta-4 chain 0.0155177 0.222694 0.222694
Loa Loa (eye worm) follicle stimulating hormone receptor 0.00718827 0.0728008 0.0728008
Toxoplasma gondii beta-tubulin, putative 0.0155177 0.222694 0.5
Loa Loa (eye worm) hypothetical protein 0.0165684 0.241603 0.241603
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Echinococcus granulosus tm gpcr rhodopsin 0.00718827 0.0728008 0.0786465
Echinococcus granulosus 7tm_1 domain containing protein 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00876682 0.101208 0.101208
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Echinococcus granulosus Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Leishmania major mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 0.0258829 0.409223 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis g protein coupled receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) BEN-1 protein 0.0155177 0.222694 0.222694
Echinococcus multilocularis tubulin beta 1 chain 0.0155177 0.222694 0.240576
Loa Loa (eye worm) hypothetical protein 0.00317754 0.000625069 0.000625069
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi Serotonin receptor 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Brugia malayi neuropeptide F receptor 0.00718827 0.0728008 0.0722209
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.0540354 0.915847 0.915847
Echinococcus multilocularis Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0155177 0.222694 0.240576
Loa Loa (eye worm) latrophilin receptor protein 2 0.00766882 0.0814487 0.0814487
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Echinococcus granulosus neuropeptide FF receptor 2 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis neuropeptide Y receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0242373 0.379609 0.379609
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Echinococcus multilocularis serotonin receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni hypothetical protein 0.00538227 0.0403006 0.059921
Brugia malayi Serotonin receptor 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis neuropeptide FF receptor 2 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis G-protein coupled receptor, putative 0.00718827 0.0728008 0.0786465
Brugia malayi G-protein coupled receptor 0.00718827 0.0728008 0.0722209
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.00766882 0.0814487 0.0808741
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.00538227 0.0403006 0.0435366
Schistosoma mansoni neuropeptide F-like receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni hypothetical protein 0.00718827 0.0728008 0.108244
Entamoeba histolytica tubulin family protein 0.0155177 0.222694 0.5
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.00718827 0.0728008 0.0786465
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.00538227 0.0403006 0.0397003
Schistosoma mansoni macroglobulin/complement 0.032879 0.535123 0.795649
Echinococcus granulosus tm gpcr rhodopsin 0.00718827 0.0728008 0.0786465
Echinococcus granulosus beta tubulin 0.0155177 0.222694 0.240576
Loa Loa (eye worm) melatonin receptor type 1A 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni netrin 0.0127011 0.172008 0.255751
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis netrin 1 0.0127011 0.172008 0.18582
Brugia malayi Tubulin beta-1 chain 0.0155177 0.222694 0.222208
Loa Loa (eye worm) hypothetical protein 0.0150055 0.213476 0.213476
Loa Loa (eye worm) apoptosis regulator protein 0.00538227 0.0403006 0.0403006
Echinococcus granulosus tubulin beta 1 chain 0.0155177 0.222694 0.240576
Trypanosoma cruzi mitogen-activated protein kinase kinase 5 0.0258829 0.409223 1
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni hypothetical protein 0.03056 0.493392 0.7336
Loa Loa (eye worm) TYRA-2 protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis neuropeptide s receptor 0.00718827 0.0728008 0.0786465
Trypanosoma brucei mitogen-activated protein kinase kinase 5 0.0258829 0.409223 1
Loa Loa (eye worm) neuropeptide F receptor 0.00718827 0.0728008 0.0728008
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus neuropeptide receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus multilocularis orexin receptor type 2 0.00718827 0.0728008 0.0786465
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0545813 0.925671 1
Schistosoma mansoni integrin beta subunit 0.0405164 0.672562 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) tubulin beta chain 0.0155177 0.222694 0.222694
Schistosoma mansoni hypothetical protein 0.00718827 0.0728008 0.108244
Brugia malayi hypothetical protein 0.0102486 0.127873 0.127328
Echinococcus granulosus neuropeptide receptor 0.00718827 0.0728008 0.0786465
Brugia malayi Integrin beta pat-3 precursor 0.0587117 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis g protein coupled receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni hypothetical protein 0.0165684 0.241603 0.359228
Brugia malayi Dopamine receptor protein 1 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.00718827 0.0728008 0.108244
Brugia malayi sulfakinin receptor protein 0.00718827 0.0728008 0.0722209
Schistosoma mansoni adenoreceptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni membrane associated guanylate kinase inverted related 0.00383826 0.0125151 0.018608
Echinococcus granulosus g-protein coupled receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis G protein coupled receptor 139 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Schistosoma mansoni hypothetical protein 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis 0.00383826 0.0125151 0.01352
Loa Loa (eye worm) BEN-1 protein 0.0155177 0.222694 0.222694
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Brugia malayi G protein-coupled receptor F59B2.13 0.00718827 0.0728008 0.0722209
Echinococcus granulosus Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Schistosoma mansoni hypothetical protein 0.00766882 0.0814487 0.121102
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi G-protein coupled receptor 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.00718827 0.0728008 0.0786465
Brugia malayi Angiotensin-converting enzyme family protein 0.0159935 0.231257 0.230777
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.00718827 0.0728008 0.0722209
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.00538227 0.0403006 0.059921
Schistosoma mansoni biogenic amine (dopamine) receptor 0.00718827 0.0728008 0.108244
Echinococcus multilocularis somatostatin receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) neuropeptide F receptor 0.00718827 0.0728008 0.0728008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Echinococcus multilocularis beta tubulin 0.0155177 0.222694 0.240576
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Schistosoma mansoni apoptosis regulator bax 0.00538227 0.0403006 0.059921
Echinococcus multilocularis Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Schistosoma mansoni growth hormone secretagogue receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.00718827 0.0728008 0.108244
Brugia malayi gonadotropin-releasing hormone receptor 2 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) G-protein coupled receptor 0.00718827 0.0728008 0.0728008
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) integrin beta-2 0.0587117 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus granulosus dual specificity mitogen activated protein 0.0258829 0.409223 0.442083
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.0127011 0.172008 0.172008
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.00718827 0.0728008 0.0786465
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus multilocularis Tubulin beta 2C chain 0.0155177 0.222694 0.240576
Echinococcus multilocularis alpha 1A adrenergic receptor 0.00718827 0.0728008 0.0786465
Brugia malayi Kelch motif family protein 0.0102486 0.127873 0.127328
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0545813 0.925671 1
Echinococcus granulosus beta tubulin 0.0155177 0.222694 0.240576
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni opsin-like receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Brugia malayi neuropeptide F receptor 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis beta tubulin 0.0155177 0.222694 0.240576
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi Tachykinin-like peptides receptor 99D 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.00718827 0.0728008 0.0728008
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus somatostatin receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni biogenic amine (dopamine) receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis cd109 antigen 0.03056 0.493392 0.53301
Echinococcus multilocularis neuropeptide Y receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Schistosoma mansoni biogenic amine receptor 0.00718827 0.0728008 0.108244
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.00718827 0.0728008 0.0786465
Echinococcus granulosus biogenic amine 5HT receptor 0.00718827 0.0728008 0.0786465
Brugia malayi putative neuropeptide receptor NPR1 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.00766882 0.0814487 0.0879888
Onchocerca volvulus 0.0127011 0.172008 0.118489
Schistosoma mansoni amine GPCR 0.00718827 0.0728008 0.108244
Echinococcus multilocularis g protein coupled receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni hypothetical protein 0.00538227 0.0403006 0.059921
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi hypothetical protein 0.00718827 0.0728008 0.0722209
Echinococcus granulosus orexin receptor type 2 0.00718827 0.0728008 0.0786465
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis g-protein coupled receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni biogenic amine receptor 0.00718827 0.0728008 0.108244
Schistosoma mansoni amine GPCR 0.00718827 0.0728008 0.108244
Schistosoma mansoni tubulin subunit beta 0.0155177 0.222694 0.331113
Echinococcus granulosus serotonin receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis rhodopsin orphan GPCR 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis allatostatin A receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis neuropeptide receptor 0.00718827 0.0728008 0.0786465
Echinococcus multilocularis dro:myosuppressin receptor 0.00718827 0.0728008 0.0786465
Echinococcus granulosus hypothetical protein 0.00718827 0.0728008 0.0786465
Echinococcus granulosus macroglobulin:complement 0.00623864 0.0557116 0.0601851
Schistosoma mansoni rhodopsin-like orphan GPCR 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0102486 0.127873 0.127873
Schistosoma mansoni protein kinase 0.0258829 0.409223 0.608454
Brugia malayi ORL1-like opioid receptor 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.037467 0.617687 0.667285
Echinococcus granulosus thyrotropin releasing hormone receptor 0.00718827 0.0728008 0.0786465
Schistosoma mansoni hypothetical protein 0.00718827 0.0728008 0.108244
Loa Loa (eye worm) hypothetical protein 0.00718827 0.0728008 0.0728008
Brugia malayi Dopamine receptor protein 2 0.00718827 0.0728008 0.0722209
Brugia malayi latrophilin 2 splice variant baaae 0.0165684 0.241603 0.241129
Brugia malayi putative neuropeptide receptor 0.00718827 0.0728008 0.0722209
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.00718827 0.0728008 0.0786465

Activities

Activity type Activity value Assay description Source Reference
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 32 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 8 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 1 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 0.5 microM ChEMBL. 11356101
Cytotoxicity (functional) 0 % In vitro cytotoxic activity against mouse peritonealmacrophages at a concentration 32 microM. ChEMBL. 11356101
Cytotoxicity (functional) 0 % In vitro cytotoxic activity against mouse peritoneal macrophages at a concentration 8 microM; Non-toxic ChEMBL. 11356101
Cytotoxicity (functional) 0 % In vitro cytotoxic activity against mouse peritoneal macrophages at a concentration 2 microM; Non-toxic ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 32 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 8 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 1 microM ChEMBL. 11356101
Cytotoxicity (functional) = 0 % Cytotoxicity against MRC-5 cells at concentration 0.5 microM ChEMBL. 11356101
IC50 (functional) = 102.6 nM In vitro growth inhibition of P. falciparum FcB1R strain ChEMBL. 11356101
IC50 (functional) = 102.6 nM In vitro growth inhibition of P. falciparum FcB1R strain ChEMBL. 11356101

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 11356101

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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