Detailed information for compound 1742139

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 1584.71 | Formula: C65H105N19O25S
  • H donors: 25 H acceptors: 25 LogP: -9.36 Rotable bonds: 64
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC(=O)O)CC(=O)N)C(C)C)C(C)C)C)C)Cc1ccc(cc1)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)N)CS)CCCN=C(N)N)CO
  • InChi: 1S/C65H105N19O25S/c1-27(2)19-40(64(108)109)78-57(101)39(22-47(93)94)76-56(100)38(21-44(67)89)77-61(105)48(28(3)4)83-62(106)49(29(5)6)82-52(96)31(8)72-45(90)23-71-51(95)30(7)73-55(99)37(20-33-12-14-34(88)15-13-33)75-58(102)41(24-85)80-63(107)50(32(9)87)84-59(103)42(25-86)79-54(98)36(11-10-18-70-65(68)69)74-60(104)43(26-110)81-53(97)35(66)16-17-46(91)92/h12-15,27-32,35-43,48-50,85-88,110H,10-11,16-26,66H2,1-9H3,(H2,67,89)(H,71,95)(H,72,90)(H,73,99)(H,74,104)(H,75,102)(H,76,100)(H,77,105)(H,78,101)(H,79,98)(H,80,107)(H,81,97)(H,82,96)(H,83,106)(H,84,103)(H,91,92)(H,93,94)(H,108,109)(H4,68,69,70)/t30-,31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,48-,49-,50-/m0/s1
  • InChiKey: HPKYGVPBDLOIBT-FLONGNAISA-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 0.0955 0.6599 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Echinococcus multilocularis serotonin receptor 0.0955 0.6599 0.7534
Echinococcus multilocularis serotonin receptor 0.0955 0.6599 0.7534
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0217 0.0725 0.0725
Onchocerca volvulus 0.0955 0.6599 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0217 0.0725 0.0725
Brugia malayi putative neuropeptide receptor 0.0955 0.6599 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Echinococcus granulosus neuropeptide FF receptor 2 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0955 0.6599 0.6599
Brugia malayi larval opioid receptor 0.0955 0.6599 1
Brugia malayi Steroid receptor seven-up type 2 0.0217 0.0725 0.0984
Schistosoma mansoni neuropeptide receptor 0.0955 0.6599 0.6599
Echinococcus granulosus epidermal growth factor receptor 0.0674 0.4363 0.4363
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) steroid hormone receptor 0.0217 0.0725 0.1099
Echinococcus multilocularis epidermal growth factor receptor 0.0674 0.4363 0.4947
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0955 0.6599 0.7534
Schistosoma mansoni tyrosine kinase 0.0353 0.1812 0.1812
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Echinococcus granulosus fmrfamide receptor 0.0955 0.6599 0.6599
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0217 0.0725 0.0984
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0217 0.0725 0.0984
Echinococcus multilocularis fmrfamide receptor 0.0955 0.6599 0.7534
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0217 0.0725 0.0984
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Schistosoma mansoni biogenic amine (5HT) receptor 0.0955 0.6599 0.6599
Echinococcus granulosus serotonin receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) G-protein coupled receptor 0.0955 0.6599 1
Echinococcus multilocularis neuropeptides capa receptor 0.0955 0.6599 0.7534
Schistosoma mansoni alpha-1 adrenergic receptor 0.0955 0.6599 0.6599
Brugia malayi hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0366 0.1913 0.2898
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0217 0.0725 0.1099
Echinococcus granulosus 7tm_1 domain containing protein 0.0955 0.6599 0.6599
Echinococcus multilocularis g protein coupled receptor 0.0955 0.6599 0.7534
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Schistosoma mansoni opsin-like receptor 0.0955 0.6599 0.6599
Schistosoma mansoni coup transcription factor 0.0217 0.0725 0.0725
Echinococcus multilocularis g protein coupled receptor 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi Dopamine receptor 0.0955 0.6599 1
Schistosoma mansoni neuropeptide F-like receptor 0.0955 0.6599 0.6599
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0136 0.0084 0.5
Brugia malayi AKH receptor 0.0955 0.6599 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0136 0.0084 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0217 0.0725 0.0742
Echinococcus granulosus g-protein coupled receptor 0.0955 0.6599 0.6599
Onchocerca volvulus Bile acid receptor homolog 0.0366 0.1913 0.2022
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0955 0.6599 0.7534
Brugia malayi Serotonin receptor 0.0955 0.6599 1
Echinococcus multilocularis neuropeptide receptor 0.0955 0.6599 0.7534
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0366 0.1913 0.1913
Schistosoma mansoni myosin xvIII 0.0955 0.6599 0.6599
Schistosoma mansoni hypothetical protein 0.0955 0.6599 0.6599
Loa Loa (eye worm) TK/EGFR protein kinase 0.0674 0.4363 0.6611
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus neuropeptide receptor 0.0955 0.6599 0.6599
Brugia malayi G-protein coupled receptor 0.0955 0.6599 1
Brugia malayi nuclear receptor RXR 0.0159 0.0266 0.0279
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0159 0.0266 0.0403
Schistosoma mansoni amine GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis somatostatin receptor 0.0955 0.6599 0.7534
Echinococcus granulosus orexin receptor type 2 0.0955 0.6599 0.6599
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0217 0.0725 0.0725
Loa Loa (eye worm) neuropeptide F receptor 0.0955 0.6599 1
Echinococcus multilocularis allatostatin A receptor 0.0955 0.6599 0.7534
Brugia malayi Nuclear hormone receptor-like 1 0.0217 0.0725 0.0984
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0217 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni tyrosine kinase 0.0221 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Echinococcus granulosus G protein coupled receptor 139 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0159 0.0266 0.0266
Echinococcus multilocularis 0.0206 0.0637 0.0639
Brugia malayi hypothetical protein 0.0955 0.6599 1
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0136 0.0084 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi Dopamine receptor protein 2 0.0955 0.6599 1
Echinococcus granulosus dro:myosuppressin receptor 0.0955 0.6599 0.6599
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0955 0.6599 0.6599
Echinococcus multilocularis neuropeptides capa receptor 0.0955 0.6599 0.7534
Echinococcus granulosus roundabout 2 0.0151 0.02 0.02
Schistosoma mansoni thyroid hormone receptor 0.0217 0.0725 0.0725
Schistosoma mansoni tyrosine kinase 0.0674 0.4363 0.4363
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0136 0.0084 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0136 0.0084 0.5
Brugia malayi GnHR receptor homolog 0.0955 0.6599 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0955 0.6599 0.6599
Echinococcus granulosus insulin receptor 0.0221 0.0761 0.0761
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0217 0.0725 0.0725
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0955 0.6599 0.7534
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Schistosoma mansoni opsin-like receptor 0.0955 0.6599 0.6599
Echinococcus granulosus hypothetical protein 0.0955 0.6599 0.6599
Schistosoma mansoni retinoic acid receptor RXR 0.1382 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0217 0.0725 0.1099
Echinococcus granulosus neuropeptide s receptor 0.0955 0.6599 0.6599
Echinococcus multilocularis epidermal growth factor receptor 0.0366 0.1913 0.2115
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0217 0.0725 0.0742
Schistosoma mansoni hypothetical protein 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni biogenic amine receptor 0.0955 0.6599 0.6599
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0955 0.6599 0.6599
Brugia malayi nuclear hormone receptor 0.0217 0.0725 0.0984
Echinococcus multilocularis dro:myosuppressin receptor 0.0955 0.6599 0.7534
Brugia malayi neuropeptide F receptor 0.0955 0.6599 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0955 0.6599 0.6599
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0217 0.0725 0.0742
Onchocerca volvulus 0.0955 0.6599 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0217 0.0725 0.0725
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0955 0.6599 0.7534
Echinococcus multilocularis thyroid hormone receptor alpha 0.0217 0.0725 0.0742
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni biogenic amine receptor 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Schistosoma mansoni tyrosine kinase 0.0366 0.1913 0.1913
Schistosoma mansoni tyrosine kinase 0.0366 0.1913 0.1913
Loa Loa (eye worm) melatonin receptor type 1A 0.0955 0.6599 1
Brugia malayi Dopamine receptor protein 1 0.0955 0.6599 1
Brugia malayi Serotonin receptor 0.0955 0.6599 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0159 0.0266 0.0266
Brugia malayi RE15519p 0.0955 0.6599 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0217 0.0725 0.0984
Echinococcus multilocularis insulin receptor 0.0221 0.0761 0.0782
Schistosoma mansoni neuropeptide F-like receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0955 0.6599 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0955 0.6599 0.7534
Echinococcus granulosus biogenic amine 5HT receptor 0.0955 0.6599 0.6599
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0826 0.5577 1
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0826 0.5577 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0769 0.5118 0.7755
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0955 0.6599 0.6599
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0217 0.0725 0.0984
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0266 0.0403
Echinococcus multilocularis roundabout 2 0.0151 0.02 0.0134
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0826 0.5577 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0217 0.0725 0.1099
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0955 0.6599 0.6599
Schistosoma mansoni adenoreceptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0151 0.02 0.0302
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Echinococcus granulosus neuropeptide receptor A26 0.0955 0.6599 0.6599
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0955 0.6599 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0955 0.6599 0.6599
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis G protein coupled receptor 139 0.0955 0.6599 0.7534
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0217 0.0725 0.0984
Echinococcus multilocularis neuropeptide receptor A26 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0159 0.0266 0.0403
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0955 0.6599 0.6599
Brugia malayi Immunoglobulin I-set domain containing protein 0.015 0.0189 0.016
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0955 0.6599 0.6599
Brugia malayi hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0955 0.6599 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0955 0.6599 0.6599
Onchocerca volvulus 0.063 0.4015 0.56
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0217 0.0725 0.1099
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0217 0.0725 0.0984
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0955 0.6599 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0955 0.6599 1
Brugia malayi G-protein coupled receptor 0.0955 0.6599 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0217 0.0725 0.0742
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0217 0.0725 0.0725
Brugia malayi G protein-coupled receptor F59B2.13 0.0955 0.6599 1
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0136 0.0084 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0955 0.6599 0.6599
Brugia malayi hypothetical protein 0.0159 0.0266 0.0279
Brugia malayi sulfakinin receptor protein 0.0955 0.6599 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0217 0.0725 0.1099
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni neuropeptide receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni amine GPCR 0.0955 0.6599 0.6599
Echinococcus granulosus ecdysone induced protein 78C 0.0217 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi hypothetical protein 0.0159 0.0266 0.0279
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0217 0.0725 0.0984
Echinococcus multilocularis G-protein coupled receptor, putative 0.0955 0.6599 0.7534
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0217 0.0725 0.0725
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0136 0.0084 0.0127
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0955 0.6599 1
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0217 0.0725 0.0742
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0955 0.6599 0.7534
Onchocerca volvulus 0.0955 0.6599 1
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus multilocularis g-protein coupled receptor 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis neuropeptide receptor 0.0955 0.6599 0.7534
Brugia malayi hypothetical protein 0.0955 0.6599 1
Brugia malayi G protein-coupled receptor 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.0266 0.0403
Schistosoma mansoni opsin-like receptor 0.0955 0.6599 0.6599
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0136 0.0084 0.5
Echinococcus multilocularis orexin receptor type 2 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi Protein kinase domain containing protein 0.0221 0.0761 0.1038
Echinococcus granulosus tm gpcr rhodopsin 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Loa Loa (eye worm) TK protein kinase 0.015 0.0189 0.0286
Schistosoma mansoni tyrosine kinase 0.0353 0.1812 0.1812
Brugia malayi hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus g protein coupled receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus multilocularis neuropeptide s receptor 0.0955 0.6599 0.7534
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0217 0.0725 0.1099
Brugia malayi ecdysteroid receptor 0.0366 0.1913 0.2807
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0955 0.6599 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0136 0.0084 0.0084
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0159 0.0266 0.021
Brugia malayi hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0221 0.0761 0.0761
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Schistosoma mansoni neuropeptide f receptor 76f 0.0955 0.6599 0.6599
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0217 0.0725 0.0984
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0136 0.0084 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0955 0.6599 0.6599
Brugia malayi steroid hormone receptor 0.0217 0.0725 0.0984
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0955 0.6599 0.6599
Echinococcus granulosus neuropeptide receptor 0.0955 0.6599 0.6599
Schistosoma mansoni amine GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis neuropeptide Y receptor 0.0955 0.6599 0.7534
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0955 0.6599 0.6599
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0217 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi putative neuropeptide receptor NPR1 0.0955 0.6599 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0217 0.0725 0.0725
Brugia malayi hypothetical protein 0.0955 0.6599 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0217 0.0725 0.0984
Echinococcus granulosus neuropeptide Y receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0159 0.0266 0.0403
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0955 0.6599 0.6599
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus neuropeptides capa receptor 0.0955 0.6599 0.6599
Onchocerca volvulus Tyrosine kinase homolog 0.0668 0.4315 0.6112
Schistosoma mansoni RAR-like nuclear receptor 0.0217 0.0725 0.0725
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus granulosus FTZ F1 alpha 0.0217 0.0725 0.0725
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0221 0.0761 0.0782
Brugia malayi Melatonin receptor type 1A 0.0955 0.6599 1
Echinococcus granulosus tm gpcr rhodopsin 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus g protein coupled receptor 0.0955 0.6599 0.6599
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0136 0.0084 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0955 0.6599 0.7534
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0136 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi neuropeptide F receptor 0.0955 0.6599 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0769 0.5118 0.7726
Schistosoma mansoni amine GPCR 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0159 0.0266 0.0403
Echinococcus granulosus g protein coupled receptor 0.0955 0.6599 0.6599
Brugia malayi follicle stimulating hormone receptor 0.0955 0.6599 1
Echinococcus granulosus tm gpcr rhodopsin 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0955 0.6599 0.6599
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0955 0.6599 0.7534
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0955 0.6599 1
Schistosoma mansoni nuclear hormone receptor 0.0217 0.0725 0.0725
Echinococcus granulosus neuropeptide Y receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0136 0.0084 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Brugia malayi nuclear receptor NHR-88 0.0217 0.0725 0.0984
Schistosoma mansoni histamine h1 receptor 0.0955 0.6599 0.6599
Schistosoma mansoni tyrosine kinase 0.0221 0.0761 0.0761
Echinococcus granulosus allatostatin A receptor 0.0955 0.6599 0.6599
Schistosoma mansoni biogenic amine receptor 0.0955 0.6599 0.6599
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0955 0.6599 0.7534
Echinococcus granulosus epidermal growth factor receptor 0.0366 0.1913 0.1913
Loa Loa (eye worm) neuropeptide F receptor 0.0955 0.6599 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0955 0.6599 0.7534
Echinococcus granulosus tachykinin peptides receptor 99D 0.0955 0.6599 0.6599
Echinococcus granulosus 7TM GPCR rhodopsin 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Brugia malayi Nuclear hormone receptor-like 1 0.0159 0.0266 0.0279
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0217 0.0725 0.0984
Echinococcus multilocularis sex peptide receptor 0.0955 0.6599 0.7534
Loa Loa (eye worm) TYRA-2 protein 0.0955 0.6599 1
Schistosoma mansoni hypothetical protein 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0955 0.6599 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0217 0.0725 0.0742
Echinococcus granulosus somatostatin receptor 0.0955 0.6599 0.6599
Echinococcus granulosus rhodopsin orphan GPCR 0.0955 0.6599 0.6599
Brugia malayi Nuclear hormone receptor-like 1 0.0159 0.0266 0.0279
Brugia malayi Tachykinin-like peptides receptor 99D 0.0955 0.6599 1
Echinococcus granulosus sex peptide receptor 0.0955 0.6599 0.6599
Schistosoma mansoni tyrosine kinase 0.0353 0.1812 0.1812
Brugia malayi ORL1-like opioid receptor 0.0955 0.6599 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0955 0.6599 0.7534
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0217 0.0725 0.0725
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0217 0.0725 0.1099
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Loa Loa (eye worm) G-protein coupled receptor 0.0955 0.6599 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0217 0.0725 0.0742
Loa Loa (eye worm) hypothetical protein 0.0217 0.0725 0.1099
Schistosoma mansoni amine GPCR 0.0955 0.6599 0.6599
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0217 0.0725 0.0742
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0217 0.0725 0.0984
Echinococcus granulosus alpha 1A adrenergic receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0955 0.6599 0.6599
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0217 0.0725 0.0984
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0955 0.6599 0.7534
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0159 0.0266 0.0266
Loa Loa (eye worm) hypothetical protein 0.0955 0.6599 1
Schistosoma mansoni thyroid hormone receptor 0.0217 0.0725 0.0725
Schistosoma mansoni hypothetical protein 0.0955 0.6599 0.6599
Echinococcus multilocularis fmrfamide receptor 0.0955 0.6599 0.7534
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0955 0.6599 1
Echinococcus multilocularis neuropeptide Y receptor 0.0955 0.6599 0.7534
Schistosoma mansoni neuropeptide receptor 0.0955 0.6599 0.6599
Schistosoma mansoni neuropeptide receptor 0.0955 0.6599 0.6599
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi Furin-like cysteine rich region family protein 0.0674 0.4363 0.6567
Loa Loa (eye worm) hypothetical protein 0.0151 0.02 0.0302
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0217 0.0725 0.0725
Echinococcus multilocularis g protein coupled receptor 0.0955 0.6599 0.7534
Schistosoma mansoni growth hormone secretagogue receptor 0.0955 0.6599 0.6599
Loa Loa (eye worm) TK/INSR protein kinase 0.0221 0.0761 0.1153
Onchocerca volvulus 0.0955 0.6599 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0217 0.0725 0.0984
Echinococcus multilocularis neuropeptide FF receptor 2 0.0955 0.6599 0.7534
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0955 0.6599 0.7534
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0217 0.0725 0.0725
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1223 0.8732 1
Echinococcus granulosus neuropeptides capa receptor 0.0955 0.6599 0.6599
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0955 0.6599 0.6599

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 42 uM Inhibitory activity was determined against HSV-1 Ribonucleoside diphosphate reductase ChEMBL. 2153825
IC50 (binding) = 60 uM Inhibitory activity against HSV-1 Ribonucleoside diphosphate reductase was determined ChEMBL. 2153825
Relative inhibition (binding) = 183 % Relative inhibition of Ribonucleoside diphosphate reductase by the compound compared to HSV-R2-(329-337) ChEMBL. 2153825

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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