Detailed information for compound 403425

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 2168.51 | Formula: C97H158N34O23
  • H donors: 27 H acceptors: 24 LogP: -9.98 Rotable bonds: 78
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=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)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)CCCN=C(N)N)[C@H](CC)C)CCCN=C(N)N)Cc1c[nH]cn1)CO)C)CCCN=C(N)N)CO)Cc1ccc(cc1)O)CCCN=C(N)N)NC(=O)CN
  • InChi: 1S/C97H158N34O23/c1-6-53(4)75(86(146)116-58(20-9-35-109-94(100)101)77(137)124-74(52(2)3)93(153)154)125-85(145)72-29-18-42-129(72)90(150)62(23-12-38-112-97(106)107)118-82(142)69-26-16-43-130(69)91(151)64(46-56-48-108-51-113-56)121-79(139)65(49-132)122-76(136)54(5)114-80(140)67-24-13-39-126(67)88(148)60(21-10-36-110-95(102)103)119-83(143)70-27-17-44-131(70)92(152)66(50-133)123-78(138)63(45-55-30-32-57(134)33-31-55)120-84(144)71-28-15-41-128(71)89(149)61(22-11-37-111-96(104)105)117-81(141)68-25-14-40-127(68)87(147)59(19-7-8-34-98)115-73(135)47-99/h30-33,48,51-54,58-72,74-75,132-134H,6-29,34-47,49-50,98-99H2,1-5H3,(H,108,113)(H,114,140)(H,115,135)(H,116,146)(H,117,141)(H,118,142)(H,119,143)(H,120,144)(H,121,139)(H,122,136)(H,123,138)(H,124,137)(H,125,145)(H,153,154)(H4,100,101,109)(H4,102,103,110)(H4,104,105,111)(H4,106,107,112)/t53-,54-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,74-,75-/m0/s1
  • InChiKey: VIGFZGDMSURVLJ-FUMOVSGTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis neuropeptide receptor A26 0.0199 0.0317 0.0356
Brugia malayi G protein-coupled receptor F59B2.13 0.0199 0.0317 0.3594
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) hypothetical protein 0.0075 0.0056 0.0076
Echinococcus multilocularis g-protein coupled receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis neuropeptide Y receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis g protein coupled receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0386 0.0709 0.0892
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi sulfakinin receptor protein 0.0199 0.0317 0.3594
Loa Loa (eye worm) TYRA-2 protein 0.0199 0.0317 0.043
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0199 0.0317 0.3594
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0048 0.0001 0.0001
Echinococcus granulosus g protein coupled receptor 0.0199 0.0317 0.0356
Echinococcus granulosus neuropeptide Y receptor 0.0199 0.0317 0.0356
Schistosoma mansoni neuropeptide receptor 0.0199 0.0317 0.0317
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0054 0.0054
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Brugia malayi ORL1-like opioid receptor 0.0199 0.0317 0.3594
Echinococcus multilocularis g protein coupled receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus orexin receptor type 2 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) hypothetical protein 0.0054 0.0013 0.0018
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0199 0.0317 0.0356
Schistosoma mansoni microtubule-associated protein tau 0.0749 0.1472 0.1472
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Echinococcus granulosus g-protein coupled receptor 0.0199 0.0317 0.0356
Schistosoma mansoni myosin xvIII 0.0199 0.0317 0.0317
Loa Loa (eye worm) G-protein coupled receptor 0.0199 0.0317 0.043
Brugia malayi Pre-SET motif family protein 0.0202 0.0323 0.3661
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0199 0.0317 0.0317
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0199 0.0317 0.043
Echinococcus granulosus tm gpcr rhodopsin 0.0199 0.0317 0.0356
Loa Loa (eye worm) neuropeptide F receptor 0.0199 0.0317 0.043
Echinococcus granulosus g protein coupled receptor 0.0199 0.0317 0.0356
Onchocerca volvulus Huntingtin homolog 0.0133 0.0179 0.4683
Onchocerca volvulus Neuropeptide F receptor homolog 0.0199 0.0317 0.8316
Echinococcus multilocularis G protein coupled receptor 139 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0022 0.003
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Brugia malayi G-protein coupled receptor 0.0199 0.0317 0.3594
Trypanosoma cruzi hypothetical protein, conserved 0.3706 0.768 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0749 0.1472 0.1934
Brugia malayi neuropeptide F receptor 0.0199 0.0317 0.3594
Schistosoma mansoni biogenic amine receptor 0.0199 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi neuropeptide F receptor 0.0199 0.0317 0.3594
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0199 0.0317 0.0356
Echinococcus granulosus 7tm_1 domain containing protein 0.0199 0.0317 0.0356
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0199 0.0317 0.0356
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.0438 0.0522
Schistosoma mansoni hypothetical protein 0.0052 0.0009 0.0009
Echinococcus granulosus fmrfamide receptor 0.0199 0.0317 0.0356
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus tachykinin peptides receptor 99D 0.0199 0.0317 0.0356
Trypanosoma cruzi hypothetical protein 0.3706 0.768 0.5
Loa Loa (eye worm) glutamate receptor 0.0181 0.028 0.0379
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus neuropeptide receptor 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni neuropeptide receptor 0.0199 0.0317 0.0317
Schistosoma mansoni growth hormone secretagogue receptor 0.0199 0.0317 0.0317
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0567 0.1089 0.1476
Brugia malayi Dopamine receptor 0.0199 0.0317 0.3594
Loa Loa (eye worm) G-protein coupled receptor 0.0199 0.0317 0.043
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0199 0.0317 0.0356
Echinococcus multilocularis somatostatin receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi AKH receptor 0.0199 0.0317 0.3594
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0523 0.0998 0.0998
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0075 0.0056 0.1474
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Loa Loa (eye worm) hypothetical protein 0.0257 0.0438 0.0594
Brugia malayi Serotonin receptor 0.0199 0.0317 0.3594
Schistosoma mansoni hypothetical protein 0.0199 0.0317 0.0317
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Brugia malayi larval opioid receptor 0.0199 0.0317 0.3594
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0199 0.0317 0.0356
Echinococcus granulosus neuropeptides capa receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Echinococcus granulosus allatostatin A receptor 0.0199 0.0317 0.0356
Onchocerca volvulus 0.023 0.0381 1
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Trypanosoma cruzi hypothetical protein, conserved 0.3706 0.768 0.5
Leishmania major hypothetical protein, conserved 0.3706 0.768 0.5
Echinococcus granulosus g protein coupled receptor 0.0199 0.0317 0.0356
Trichomonas vaginalis conserved hypothetical protein 0.3706 0.768 1
Schistosoma mansoni adenoreceptor 0.0199 0.0317 0.0317
Brugia malayi G-protein coupled receptor 0.0199 0.0317 0.3594
Echinococcus granulosus 7TM GPCR rhodopsin 0.0199 0.0317 0.0356
Echinococcus multilocularis sex peptide receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.3562 0.7378 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0118 0.0147 0.0199
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0075 0.0056 0.0548
Echinococcus multilocularis allatostatin A receptor 0.0199 0.0317 0.0356
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0199 0.0317 0.0317
Echinococcus granulosus microtubule associated protein 2 0.0749 0.1472 0.1934
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Trypanosoma cruzi hypothetical protein, conserved 0.3706 0.768 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0224 0.037 0.037
Echinococcus granulosus peptide allatostatin:somatostatin 0.0199 0.0317 0.0356
Brugia malayi hypothetical protein 0.0257 0.0438 0.501
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0199 0.0317 0.043
Trypanosoma cruzi hypothetical protein 0.3706 0.768 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0417 0.0775 0.8939
Brugia malayi metabotropic glutamate receptor type 2 0.0224 0.037 0.4216
Echinococcus multilocularis neuropeptide receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus somatostatin receptor 0.0199 0.0317 0.0356
Echinococcus granulosus tumor protein p63 0.0328 0.0587 0.0725
Echinococcus granulosus dro:myosuppressin receptor 0.0199 0.0317 0.0356
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Brugia malayi Serotonin receptor 0.0199 0.0317 0.3594
Brugia malayi RE15519p 0.0199 0.0317 0.3594
Echinococcus granulosus neuropeptide FF receptor 2 0.0199 0.0317 0.0356
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Echinococcus granulosus tm gpcr rhodopsin 0.0199 0.0317 0.0356
Schistosoma mansoni amine GPCR 0.0199 0.0317 0.0317
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0133 0.0179 0.0242
Brugia malayi GnHR receptor homolog 0.0199 0.0317 0.3594
Onchocerca volvulus Poor gastrulation protein homolog 0.0075 0.0056 0.1474
Onchocerca volvulus 0.0199 0.0317 0.8316
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0199 0.0317 0.0356
Echinococcus granulosus sex peptide receptor 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0199 0.0317 0.0356
Echinococcus multilocularis serotonin receptor 0.3562 0.7378 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0199 0.0317 0.0317
Schistosoma mansoni hypothetical protein 0.0075 0.0056 0.0056
Schistosoma mansoni neuropeptide F-like receptor 0.0199 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0199 0.0317 0.0317
Onchocerca volvulus 0.0199 0.0317 0.8316
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0199 0.0317 0.0356
Echinococcus granulosus biogenic amine 5HT receptor 0.3562 0.7378 1
Echinococcus granulosus neuropeptide s receptor 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.0323 0.0438
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0118 0.0147 0.0199
Echinococcus multilocularis neuropeptide s receptor 0.0199 0.0317 0.0356
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0199 0.0317 0.0317
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0199 0.0317 0.0317
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0118 0.0147 0.0199
Echinococcus granulosus neuropeptide receptor A26 0.0199 0.0317 0.0356
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0094 0.0051
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0133 0.0179 0.0242
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0199 0.0317 0.0317
Schistosoma mansoni neuropeptide receptor 0.0199 0.0317 0.0317
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0199 0.0317 0.3594
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.0438 0.0522
Onchocerca volvulus 0.0199 0.0317 0.8316
Echinococcus multilocularis neuropeptide Y receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0013 0.0018
Echinococcus multilocularis serotonin receptor 0.3562 0.7378 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0094 0.0051
Echinococcus multilocularis neuropeptide FF receptor 2 0.0199 0.0317 0.0356
Echinococcus granulosus metabotropic glutamate receptor 2 0.0386 0.0709 0.0892
Loa Loa (eye worm) hypothetical protein 0.3562 0.7378 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0199 0.0317 0.0317
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus G protein coupled receptor 139 0.0199 0.0317 0.0356
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Echinococcus granulosus rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Onchocerca volvulus 0.0199 0.0317 0.8316
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Echinococcus multilocularis tumor protein p63 0.0328 0.0587 0.0725
Schistosoma mansoni opsin-like receptor 0.0199 0.0317 0.0317
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0013 0.0043
Onchocerca volvulus 0.0199 0.0317 0.8316
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0199 0.0317 0.0317
Schistosoma mansoni amine GPCR 0.0199 0.0317 0.0317
Loa Loa (eye worm) neuropeptide F receptor 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus hypothetical protein 0.0199 0.0317 0.0356
Echinococcus multilocularis neuropeptides capa receptor 0.0199 0.0317 0.0356
Brugia malayi Dopamine receptor protein 1 0.0199 0.0317 0.3594
Echinococcus granulosus alpha 1A adrenergic receptor 0.0199 0.0317 0.0356
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0199 0.0317 0.0317
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0199 0.0317 0.0356
Schistosoma mansoni hypothetical protein 0.0199 0.0317 0.0317
Echinococcus multilocularis orexin receptor type 2 0.0199 0.0317 0.0356
Echinococcus granulosus neuropeptide Y receptor 0.0199 0.0317 0.0356
Echinococcus multilocularis G-protein coupled receptor, putative 0.0199 0.0317 0.0356
Echinococcus multilocularis rhodopsin orphan GPCR 0.0199 0.0317 0.0356
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi G protein-coupled receptor 0.0199 0.0317 0.3594
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Brugia malayi follicle stimulating hormone receptor 0.0199 0.0317 0.3594
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0199 0.0317 0.0356
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0199 0.0317 0.0356
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0199 0.0317 0.0317
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0199 0.0317 0.0317
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0199 0.0317 0.0317
Echinococcus multilocularis g protein coupled receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Onchocerca volvulus 0.0052 0.0009 0.0244
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0199 0.0317 0.3594
Schistosoma mansoni opsin-like receptor 0.0199 0.0317 0.0317
Schistosoma mansoni amine GPCR 0.0199 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi Metabotropic glutamate receptor precursor. 0.046 0.0866 1
Echinococcus multilocularis neuropeptides capa receptor 0.0199 0.0317 0.0356
Trypanosoma brucei nucleoside 2-deoxyribosyltransferase 0.3706 0.768 0.5
Echinococcus granulosus neuropeptide receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) glutamate receptor 0.046 0.0866 0.1174
Schistosoma mansoni survival motor neuron protein 0.0052 0.0009 0.0009
Brugia malayi Dopamine receptor protein 2 0.0199 0.0317 0.3594
Schistosoma mansoni biogenic amine (5HT) receptor 0.0199 0.0317 0.0317
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Onchocerca volvulus 0.0199 0.0317 0.8316
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Onchocerca volvulus 0.0199 0.0317 0.8316
Brugia malayi Receptor family ligand binding region containing protein 0.0118 0.0147 0.1609
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) melatonin receptor type 1A 0.0199 0.0317 0.043
Brugia malayi jmjC domain containing protein 0.0093 0.0094 0.0985
Brugia malayi putative neuropeptide receptor NPR1 0.0199 0.0317 0.3594
Onchocerca volvulus 0.0199 0.0317 0.8316
Echinococcus multilocularis dro:myosuppressin receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0199 0.0317 0.043
Echinococcus granulosus serotonin receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0199 0.0317 0.043
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0199 0.0317 0.0356
Brugia malayi putative neuropeptide receptor 0.0199 0.0317 0.3594
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0199 0.0317 0.3594
Echinococcus multilocularis fmrfamide receptor 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0199 0.0317 0.0317
Onchocerca volvulus Huntingtin homolog 0.0133 0.0179 0.4683
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0199 0.0317 0.0317
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0199 0.0317 0.3594
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0013 0.0043
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0199 0.0317 0.0356
Onchocerca volvulus 0.0199 0.0317 0.8316
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0199 0.0317 0.8316
Brugia malayi hypothetical protein 0.0133 0.0179 0.1977
Brugia malayi Tachykinin-like peptides receptor 99D 0.0199 0.0317 0.3594
Schistosoma mansoni histamine h1 receptor 0.0199 0.0317 0.0317
Schistosoma mansoni hypothetical protein 0.0199 0.0317 0.0317
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni biogenic amine receptor 0.0199 0.0317 0.0317
Schistosoma mansoni neuropeptide F-like receptor 0.0199 0.0317 0.0317
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus granulosus neuropeptides capa receptor 0.0199 0.0317 0.0356
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Schistosoma mansoni opsin-like receptor 0.0199 0.0317 0.0317
Echinococcus granulosus metabotropic glutamate receptor 5 0.0567 0.1089 0.1411
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0199 0.0317 0.0356
Echinococcus granulosus tm gpcr rhodopsin 0.0199 0.0317 0.0356
Schistosoma mansoni biogenic amine (5HT) receptor 0.3562 0.7378 0.7378
Echinococcus multilocularis fmrfamide receptor 0.0199 0.0317 0.0356
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0567 0.1089 0.1411
Schistosoma mansoni biogenic amine receptor 0.0199 0.0317 0.0317
Schistosoma mansoni metabotropic glutamate receptor 0.0386 0.0709 0.0709
Loa Loa (eye worm) hypothetical protein 0.0199 0.0317 0.043
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Schistosoma mansoni amine GPCR 0.0199 0.0317 0.0317
Schistosoma mansoni hypothetical protein 0.0199 0.0317 0.0317
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0199 0.0317 0.0317
Echinococcus multilocularis neuropeptide receptor 0.0199 0.0317 0.0356
Brugia malayi hypothetical protein 0.0199 0.0317 0.3594
Brugia malayi Melatonin receptor type 1A 0.0199 0.0317 0.3594
Schistosoma mansoni neuropeptide receptor 0.0199 0.0317 0.0317

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 8 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against S. enteritidis D5 ChEMBL. 12238928
MIC (functional) = 16 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli ML-35 ChEMBL. 12238928
MIC (functional) = 16 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli O18:K1:H7 ChEMBL. 12238928
MIC (functional) = 16 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against S. enteritidis PD1 ChEMBL. 12238928
MIC (functional) = 16 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli ML-35 ChEMBL. 12238928
MIC (functional) = 16 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli O18:K1:H7 ChEMBL. 12238928
MIC (functional) = 32 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against S. typhimurium ATCC 14028 ChEMBL. 12238928
MIC (functional) = 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli ATCC 25922 ChEMBL. 12238928
MIC (functional) > 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli D22 ChEMBL. 12238928
MIC (functional) > 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against S. aureus G ChEMBL. 12238928
MIC (functional) > 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against S. epidermidis 4 ChEMBL. 12238928
MIC (functional) = 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli ATCC 25922 ChEMBL. 12238928
MIC (functional) > 64 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli D22 ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli D21 ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against P. aeruginosa ATCC 27853 ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against A. baumannii 118A ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against K. pneumoniae 22 ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against K. pneumoniae 79 ChEMBL. 12238928
MIC (functional) > 128 uM Minimum inhibitory concentration (lowest peptide concentration) required to prevent visible bacterial growth after 18 h of incubation at 37 C in Mueller-Hinton broth against E. coli D21 ChEMBL. 12238928

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.
 
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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