Detailed information for compound 1744547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1436.05 | Formula: C70H95ClN16O15
  • H donors: 16 H acceptors: 15 LogP: 1.24 Rotable bonds: 36
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)Cc1ccc2c(c1)cccc2)Cc1ccc(cc1)O)NC(=O)[C@H]1CCCCNC(=O)[C@@H](Cc2ccc(cc2)Cl)NC(=O)[C@H](CCC(=O)NCCC(=O)N1)NC(=O)C
  • InChi: 1S/C70H95ClN16O15/c1-39(2)33-52(64(97)81-51(14-9-30-77-70(73)74)69(102)87-32-10-15-57(87)68(101)78-40(3)60(72)93)82-66(99)55(37-44-16-21-45-11-5-6-12-46(45)34-44)84-65(98)54(36-43-19-24-48(90)25-20-43)85-67(100)56(38-88)86-62(95)49-13-7-8-29-76-61(94)53(35-42-17-22-47(71)23-18-42)83-63(96)50(79-41(4)89)26-27-58(91)75-31-28-59(92)80-49/h5-6,11-12,16-25,34,39-40,49-57,88,90H,7-10,13-15,26-33,35-38H2,1-4H3,(H2,72,93)(H,75,91)(H,76,94)(H,78,101)(H,79,89)(H,80,92)(H,81,97)(H,82,99)(H,83,96)(H,84,98)(H,85,100)(H,86,95)(H4,73,74,77)/t40-,49-,50+,51+,52-,53-,54+,55-,56+,57+/m1/s1
  • InChiKey: VISQMXVWMPKDMZ-NDXMATIESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Gonadotropin-releasing hormone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GnHR receptor homolog Get druggable targets OG5_131719 All targets in OG5_131719
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 284 aa 19.4 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 292 aa 19.5 %
Echinococcus multilocularis allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 279 aa 23.7 %
Schistosoma mansoni peptide (allatostatin)-like receptor Gonadotropin-releasing hormone receptor   327 aa 272 aa 23.2 %
Schistosoma japonicum Alpha-1A adrenergic receptor, putative Gonadotropin-releasing hormone receptor   327 aa 290 aa 19.7 %
Loa Loa (eye worm) hypothetical protein Gonadotropin-releasing hormone receptor   327 aa 334 aa 21.6 %
Echinococcus multilocularis tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 20.1 %
Echinococcus granulosus tm gpcr rhodopsin Gonadotropin-releasing hormone receptor   327 aa 299 aa 23.1 %
Onchocerca volvulus E3 ubiquitin-protein ligase rpm-1 homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 27.8 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Gonadotropin-releasing hormone receptor   327 aa 273 aa 19.8 %
Echinococcus granulosus tachykinin peptides receptor 99D Gonadotropin-releasing hormone receptor   327 aa 283 aa 19.1 %
Schistosoma mansoni neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 24.0 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Gonadotropin-releasing hormone receptor   327 aa 288 aa 24.3 %
Brugia malayi ORL1-like opioid receptor Gonadotropin-releasing hormone receptor   327 aa 293 aa 20.8 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 19.0 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Gonadotropin-releasing hormone receptor   327 aa 263 aa 23.2 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Gonadotropin-releasing hormone receptor   327 aa 343 aa 21.6 %
Echinococcus multilocularis neuropeptide receptor Gonadotropin-releasing hormone receptor   327 aa 263 aa 20.9 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 336 aa 20.8 %
Echinococcus granulosus allatostatin A receptor Gonadotropin-releasing hormone receptor   327 aa 284 aa 22.9 %
Onchocerca volvulus Gonadotropin-releasing hormone receptor   327 aa 271 aa 20.7 %
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Gonadotropin-releasing hormone receptor   327 aa 305 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni lamin 0.0027 0.0005 0.0013
Echinococcus multilocularis neuropeptide Y receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0137 0.0117 0.0117
Echinococcus multilocularis serotonin receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis neuropeptide FF receptor 2 0.0137 0.0117 0.0117
Brugia malayi Serotonin receptor 0.0137 0.0117 0.1711
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0137 0.0117 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0059 0.0037 1
Schistosoma mansoni opsin-like receptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0137 0.0117 0.0117
Loa Loa (eye worm) DEAH box polypeptide 35 0.0038 0.0016 0.1364
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0948 0.0943 0.0943
Loa Loa (eye worm) hypothetical protein 0.0027 0.0005 0.0413
Schistosoma mansoni hypothetical protein 0.0137 0.0117 0.0321
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis lamin 0.0027 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus neuropeptide receptor A26 0.0137 0.0117 0.0117
Echinococcus granulosus mitogen activated protein kinase 0.0059 0.0037 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0053 0.0146
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0117 0.0321
Echinococcus granulosus g protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus granulosus tm gpcr rhodopsin 0.0137 0.0117 0.0117
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0059 0.0037 0.0103
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis musashi 0.0027 0.0005 0.0005
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0137 0.0117 0.0321
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0137 0.0117 0.0117
Brugia malayi neuropeptide F receptor 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus neuropeptide receptor 0.0137 0.0117 0.0117
Schistosoma mansoni amine GPCR 0.0137 0.0117 0.0321
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0037 0.0103
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis neuropeptide s receptor 0.0137 0.0117 0.0117
Echinococcus granulosus fmrfamide receptor 0.0137 0.0117 0.0117
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0037 0.0103
Schistosoma mansoni opsin-like receptor 0.0137 0.0117 0.0321
Echinococcus multilocularis sex peptide receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis serotonin receptor 0.0137 0.0117 0.0117
Schistosoma mansoni biogenic amine receptor 0.0137 0.0117 0.0321
Schistosoma mansoni neuropeptide F-like receptor 0.0137 0.0117 0.0321
Brugia malayi Dopamine receptor protein 2 0.0137 0.0117 0.1711
Echinococcus multilocularis G protein coupled receptor 139 0.0137 0.0117 0.0117
Echinococcus granulosus sex peptide receptor 0.0137 0.0117 0.0117
Echinococcus granulosus tar DNA binding protein 0.0074 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni hypothetical protein 0.0034 0.0012 0.0033
Brugia malayi TAR-binding protein 0.0074 0.0053 0.0777
Echinococcus multilocularis neuropeptides capa receptor 0.0137 0.0117 0.0117
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0137 0.0117 0.0321
Echinococcus granulosus dro:myosuppressin receptor 0.0137 0.0117 0.0117
Schistosoma mansoni amine GPCR 0.0137 0.0117 0.0321
Brugia malayi follicle stimulating hormone receptor 0.0137 0.0117 0.1711
Echinococcus multilocularis mitogen activated protein kinase 0.0059 0.0037 0.0037
Echinococcus multilocularis fmrfamide receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.0022 0.1913
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0137 0.0117 0.0117
Brugia malayi putative neuropeptide receptor NPR1 0.0137 0.0117 0.1711
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Echinococcus granulosus somatostatin receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0137 0.0117 0.0117
Echinococcus multilocularis microtubule associated protein 2 0.0684 0.0674 0.0674
Onchocerca volvulus 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Trypanosoma brucei protein kinase, putative 0.0059 0.0037 0.0103
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus granulosus tachykinin peptides receptor 99D 0.0137 0.0117 0.0117
Echinococcus granulosus neuropeptides capa receptor 0.0137 0.0117 0.0117
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0137 0.0117 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0137 0.0117 0.0321
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0037 0.0103
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0137 0.0117 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0137 0.0117 0.0117
Echinococcus multilocularis lamin dm0 0.0027 0.0005 0.0005
Echinococcus multilocularis g-protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis neuropeptide receptor 0.0137 0.0117 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0053 0.0146
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus tm gpcr rhodopsin 0.0137 0.0117 0.0117
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0059 0.0037 0.0103
Schistosoma mansoni hypothetical protein 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0137 0.0117 0.0321
Echinococcus granulosus G protein coupled receptor 139 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0049 0.0028 0.2391
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.9847 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0059 0.0037 0.0103
Echinococcus granulosus serotonin receptor 0.0137 0.0117 0.0117
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.0037 0.0103
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0137 0.0117 0.0321
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis G-protein coupled receptor, putative 0.0137 0.0117 0.0117
Loa Loa (eye worm) neuropeptide F receptor 0.0137 0.0117 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0028 0.2391
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0137 0.0117 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0053 0.0146
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0053 0.4544
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.3591 0.3633 1
Onchocerca volvulus 0.0137 0.0117 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Brugia malayi Tachykinin-like peptides receptor 99D 0.0137 0.0117 0.1711
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Echinococcus multilocularis fmrfamide receptor 0.0137 0.0117 0.0117
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0059 0.0037 0.0103
Giardia lamblia Kinase, CMGC MAPK 0.0059 0.0037 0.0103
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Schistosoma mansoni neuropeptide receptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) TYRA-2 protein 0.0137 0.0117 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) neuropeptide F receptor 0.0137 0.0117 1
Echinococcus multilocularis neuropeptides capa receptor 0.0137 0.0117 0.0117
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Schistosoma mansoni neuropeptide receptor 0.0137 0.0117 0.0321
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3591 0.3633 1
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0137 0.0117 0.0117
Echinococcus granulosus neuropeptide Y receptor 0.0137 0.0117 0.0117
Schistosoma mansoni hypothetical protein 0.0137 0.0117 0.0321
Trichomonas vaginalis conserved hypothetical protein 0.3591 0.3633 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0137 0.0117 0.1711
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0137 0.0117 0.0321
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0059 0.0037 0.0103
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0137 0.0117 0.0117
Schistosoma mansoni neuropeptide F-like receptor 0.0137 0.0117 0.0321
Brugia malayi AKH receptor 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0137 0.0117 0.0321
Brugia malayi sulfakinin receptor protein 0.0137 0.0117 0.1711
Echinococcus granulosus alpha 1A adrenergic receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0059 0.0037 0.0103
Echinococcus granulosus intermediate filament protein 0.0027 0.0005 0.0005
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0137 0.0117 0.0321
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0137 0.0117 0.1711
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0037 0.0103
Brugia malayi GnHR receptor homolog 0.0692 0.0682 1
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0137 0.0117 0.0117
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0137 0.0117 0.1711
Schistosoma mansoni adenoreceptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0038 0.0016 0.1364
Schistosoma mansoni microtubule-associated protein tau 0.0684 0.0674 0.1855
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0137 0.0117 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Loa Loa (eye worm) G-protein coupled receptor 0.0137 0.0117 1
Brugia malayi Dopamine receptor protein 1 0.0137 0.0117 0.1711
Brugia malayi intermediate filament protein 0.0027 0.0005 0.0071
Brugia malayi MAP kinase sur-1 0.0059 0.0037 0.0548
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0137 0.0117 0.0321
Brugia malayi G protein-coupled receptor 0.0137 0.0117 0.1711
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0028 0.0409
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0137 0.0117 0.0117
Echinococcus granulosus lamin dm0 0.0027 0.0005 0.0005
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0137 0.0117 0.1711
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus multilocularis orexin receptor type 2 0.0137 0.0117 0.0117
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Onchocerca volvulus 0.0137 0.0117 1
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0059 0.0037 0.0037
Schistosoma mansoni myosin xvIII 0.0137 0.0117 0.0321
Brugia malayi Dopamine receptor 0.0137 0.0117 0.1711
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.3591 0.3633 1
Onchocerca volvulus 0.0137 0.0117 1
Schistosoma mansoni amine GPCR 0.0137 0.0117 0.0321
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.3591 0.3633 1
Echinococcus multilocularis neuropeptide receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0053 0.4544
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0137 0.0117 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0137 0.0117 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0137 0.0117 0.0117
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3591 0.3633 1
Brugia malayi larval opioid receptor 0.0137 0.0117 0.1711
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.3591 0.3633 0.3633
Echinococcus multilocularis tar DNA binding protein 0.0074 0.0053 0.0053
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0137 0.0117 0.0117
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus granulosus allatostatin A receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni neuropeptide receptor 0.0137 0.0117 0.0321
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0137 0.0117 0.0117
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0053 0.0146
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) G-protein coupled receptor 0.0137 0.0117 1
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0053 0.0777
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0137 0.0117 0.1711
Echinococcus granulosus lamin 0.0027 0.0005 0.0005
Echinococcus granulosus orexin receptor type 2 0.0137 0.0117 0.0117
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0137 0.0117 0.0321
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0005 0.0413
Schistosoma mansoni amine GPCR 0.0137 0.0117 0.0321
Schistosoma mansoni histamine h1 receptor 0.0137 0.0117 0.0321
Schistosoma mansoni neuropeptide receptor 0.0137 0.0117 0.0321
Brugia malayi Melatonin receptor type 1A 0.0137 0.0117 0.1711
Schistosoma mansoni growth hormone secretagogue receptor 0.0137 0.0117 0.0321
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0012 0.0176
Echinococcus granulosus g-protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus granulosus biogenic amine 5HT receptor 0.0137 0.0117 0.0117
Schistosoma mansoni amine GPCR 0.0137 0.0117 0.0321
Schistosoma mansoni biogenic amine receptor 0.0137 0.0117 0.0321
Onchocerca volvulus 0.0137 0.0117 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0137 0.0117 0.0321
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus neuropeptide Y receptor 0.0137 0.0117 0.0117
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Trichomonas vaginalis CMGC family protein kinase 0.0059 0.0037 0.0103
Brugia malayi hypothetical protein 0.0137 0.0117 0.1711
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0137 0.0117 0.1711
Echinococcus granulosus peptide allatostatin:somatostatin 0.0137 0.0117 0.0117
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0137 0.0117 0.0321
Brugia malayi RE15519p 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Entamoeba histolytica hypothetical protein, conserved 0.3591 0.3633 1
Brugia malayi ORL1-like opioid receptor 0.0137 0.0117 0.1711
Schistosoma mansoni intermediate filament proteins 0.0027 0.0005 0.0013
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis neuropeptide Y receptor 0.0137 0.0117 0.0117
Echinococcus granulosus neuropeptide receptor 0.0137 0.0117 0.0117
Brugia malayi putative neuropeptide receptor 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Onchocerca volvulus 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Onchocerca volvulus 0.0137 0.0117 1
Brugia malayi G-protein coupled receptor 0.0137 0.0117 0.1711
Brugia malayi Serotonin receptor 0.0137 0.0117 0.1711
Echinococcus granulosus microtubule associated protein 2 0.0684 0.0674 0.0674
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0117 0.0321
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0028 0.0409
Giardia lamblia Rrm3p helicase 0.3591 0.3633 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Echinococcus granulosus biogenic amine 5HT receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis somatostatin receptor 0.0137 0.0117 0.0117
Brugia malayi RNA binding protein 0.0074 0.0053 0.0777
Schistosoma mansoni biogenic amine receptor 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus g protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0137 0.0117 0.0117
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus neuropeptides capa receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus hypothetical protein 0.0137 0.0117 0.0117
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Brugia malayi Probable ATP-dependent helicase DHX35 0.0038 0.0016 0.0233
Schistosoma mansoni hypothetical protein 0.3591 0.3633 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.3591 0.3633 0.3633
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Brugia malayi G-protein coupled receptor 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0053 0.0146
Echinococcus granulosus neuropeptide s receptor 0.0137 0.0117 0.0117
Brugia malayi neuropeptide F receptor 0.0137 0.0117 0.1711
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.037
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0059 0.0037 0.0037
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0005 0.0071
Schistosoma mansoni lamin 0.0027 0.0005 0.0013
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0059 0.0037 0.3205
Loa Loa (eye worm) hypothetical protein 0.0034 0.0012 0.1027
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0137 0.0117 0.0117
Echinococcus granulosus 7tm_1 domain containing protein 0.0137 0.0117 0.0117
Entamoeba histolytica DNA repair and recombination protein, putative 0.3591 0.3633 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0137 0.0117 0.0321
Onchocerca volvulus 0.0137 0.0117 1
Echinococcus granulosus g protein coupled receptor 0.0137 0.0117 0.0117
Echinococcus multilocularis neuropeptide receptor A26 0.0137 0.0117 0.0117
Echinococcus multilocularis allatostatin A receptor 0.0137 0.0117 0.0117
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.3591 0.3633 1
Schistosoma mansoni hypothetical protein 0.0137 0.0117 0.0321
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0005 0.0413
Onchocerca volvulus 0.0137 0.0117 1
Onchocerca volvulus 0.0137 0.0117 1
Schistosoma mansoni opsin-like receptor 0.0137 0.0117 0.0321
Echinococcus multilocularis g protein coupled receptor 0.0137 0.0117 0.0117
Loa Loa (eye worm) RNA binding protein 0.0074 0.0053 0.4544
Brugia malayi Cytochrome P450 family protein 0.0044 0.0022 0.0327
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0137 0.0117 0.0321
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.0117 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.3591 0.3633 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0137 0.0117 0.0117
Onchocerca volvulus Neuropeptide F receptor homolog 0.0137 0.0117 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.2 nM Competitive radioligand binding assay for rat Gonadotropin-releasing hormone receptor cells stably transfected in human HEK-293 ChEMBL. 10715148

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

No literature references available for this target.

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