Detailed information for compound 1654809

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.613 | Formula: C28H30N2O6S
  • H donors: 3 H acceptors: 4 LogP: 3.39 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@@H](C(=O)OC)NC(=O)[C@H](CSCCOC(=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1)N
  • InChi: 1S/C28H30N2O6S/c1-35-28(34)25(17-31)30-26(32)24(29)18-37-16-15-36-27(33)23-13-11-22(12-14-23)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14,24-25,31H,15-18,29H2,1H3,(H,30,32)/t24-,25-/m0/s1
  • InChiKey: VTUOPNJSJAHKBU-DQEYMECFSA-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
Echinococcus granulosus neuropeptide s receptor 0.0069 0.1867 0.2653
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0039 0.095 0.1655
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus granulosus enteropeptidase 0.0028 0.0603 0.0854
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0069 0.1867 0.1867
Echinococcus multilocularis fmrfamide receptor 0.0069 0.1867 0.2653
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Loa Loa (eye worm) TAR-binding protein 0.0124 0.3605 0.3602
Brugia malayi ORL1-like opioid receptor 0.0069 0.1867 0.1867
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi Dopamine receptor 0.0069 0.1867 0.1867
Echinococcus granulosus ETS transcription factor Elf 1 0.001 0.0054 0.0073
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1867 0.1832
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0042 0.0042
Echinococcus multilocularis glycoprotein Antigen 5 0.0028 0.0603 0.0854
Echinococcus granulosus G protein coupled receptor 139 0.0069 0.1867 0.2653
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0042
Echinococcus multilocularis geminin 0.0164 0.485 0.6902
Onchocerca volvulus 0.0069 0.1867 0.1832
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0055
Brugia malayi Serotonin receptor 0.0069 0.1867 0.1867
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Echinococcus granulosus biogenic amine 5HT receptor 0.0069 0.1867 0.2653
Brugia malayi Melatonin receptor type 1A 0.0069 0.1867 0.1867
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.7026 1
Echinococcus granulosus cytochrome P450 2K1 0.0018 0.0293 0.0412
Schistosoma mansoni neuropeptide receptor 0.0069 0.1867 0.1832
Echinococcus multilocularis neuropeptide FF receptor 2 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) TYRA-2 protein 0.0069 0.1867 0.1864
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0069 0.1867 0.2653
Schistosoma mansoni amine GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Onchocerca volvulus 0.0028 0.0603 0.0563
Schistosoma mansoni amine GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus granulosus neuropeptide receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.1867 0.1864
Mycobacterium ulcerans hypothetical protein 0.0028 0.0603 0.0781
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1867 0.2653
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0042 0.0055
Schistosoma mansoni peroxidasin 0.0039 0.0947 0.0909
Loa Loa (eye worm) hypothetical protein 0.0028 0.0603 0.06
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1867 0.2653
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Onchocerca volvulus Peroxidase homolog 0.0039 0.0947 0.0909
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0042 0.0055
Schistosoma mansoni amine GPCR 0.0069 0.1867 0.1832
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0042 0.0042
Echinococcus granulosus 7TM GPCR rhodopsin 0.0069 0.1867 0.2653
Schistosoma mansoni opsin-like receptor 0.0069 0.1867 0.1832
Schistosoma mansoni hypothetical protein 0.0069 0.1867 0.1832
Echinococcus granulosus neuropeptide receptor A26 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi Trypsin family protein 0.0028 0.0603 0.0603
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0069 0.1867 0.1864
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0.0572 0.0702
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0028 0.0603 0.0854
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0069 0.1867 0.1832
Echinococcus granulosus orexin receptor type 2 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Schistosoma mansoni neuropeptide f receptor 76f 0.0069 0.1867 0.1832
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0069 0.1867 0.1832
Echinococcus multilocularis neuropeptide receptor A26 0.0069 0.1867 0.2653
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0563
Schistosoma mansoni cpg binding protein 0.0028 0.0615 0.0576
Echinococcus granulosus hypothetical protein 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0329 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Onchocerca volvulus Peroxidasin homolog 0.0039 0.0947 0.0909
Loa Loa (eye worm) hypothetical protein 0.001 0.0054 0.0051
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0572 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus granulosus g protein coupled receptor 0.0069 0.1867 0.2653
Brugia malayi G protein-coupled receptor 0.0069 0.1867 0.1867
Echinococcus granulosus 7tm_1 domain containing protein 0.0069 0.1867 0.2653
Loa Loa (eye worm) melatonin receptor type 1A 0.0069 0.1867 0.1864
Echinococcus granulosus neuropeptide Y receptor 0.0069 0.1867 0.2653
Brugia malayi Cytochrome P450 family protein 0.0018 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0039
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0069 0.1867 0.2653
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3605 0.3577
Schistosoma mansoni hypothetical protein 0.001 0.0054 0.0012
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) fli-1 protein 0.0218 0.6535 0.6534
Echinococcus granulosus ETS transcription factor Elf 5 0.001 0.0054 0.0073
Schistosoma mansoni hypothetical protein 0.0164 0.485 0.4829
Echinococcus multilocularis neuropeptide Y receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0069 0.1867 0.2653
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Onchocerca volvulus 0.0301 0.9126 0.9123
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1867 0.2653
Loa Loa (eye worm) animal heme peroxidase 0.0039 0.0947 0.0944
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Onchocerca volvulus 0.0069 0.1867 0.1832
Schistosoma mansoni amine GPCR 0.0069 0.1867 0.1832
Brugia malayi G-protein coupled receptor 0.0069 0.1867 0.1867
Echinococcus multilocularis allatostatin A receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0329 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0069 0.1867 0.2653
Brugia malayi sulfakinin receptor protein 0.0069 0.1867 0.1867
Onchocerca volvulus 0.0039 0.095 0.0912
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0563
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0069 0.1867 0.1867
Onchocerca volvulus Chorion peroxidase homolog 0.0039 0.0947 0.0909
Echinococcus granulosus somatostatin receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0055
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0054 0.0073
Echinococcus granulosus tar DNA binding protein 0.0124 0.3605 0.5128
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1867 0.1832
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Echinococcus granulosus neuropeptide receptor 0.0069 0.1867 0.2653
Schistosoma mansoni elf1 0.001 0.0054 0.0012
Echinococcus multilocularis orexin receptor type 2 0.0069 0.1867 0.2653
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0615 0.0612
Echinococcus granulosus serotonin receptor 0.0069 0.1867 0.2653
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0069 0.1867 0.1832
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi GnHR receptor homolog 0.0069 0.1867 0.1867
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3605 0.3577
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0042
Loa Loa (eye worm) D-ets-2 protein 0.001 0.0054 0.0051
Echinococcus multilocularis serotonin receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.3605 0.3605
Brugia malayi steroid hormone receptor 0.001 0.0042 0.0042
Echinococcus multilocularis sex peptide receptor 0.0069 0.1867 0.2653
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0145 0.4265 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus granulosus tachykinin peptides receptor 99D 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0061 0.1646 0.1643
Echinococcus granulosus transmembrane protease serine 3 0.0028 0.0603 0.0854
Brugia malayi Animal haem peroxidase family protein 0.0039 0.0947 0.0947
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0039
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0069 0.1867 0.1832
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.0028 0.0603 0.06
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1218 0.1218
Brugia malayi Trypsin family protein 0.0028 0.0603 0.0603
Echinococcus multilocularis fmrfamide receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0069 0.1867 0.1864
Schistosoma mansoni hypothetical protein 0.0164 0.485 0.4829
Echinococcus multilocularis enteropeptidase 0.0028 0.0603 0.0854
Echinococcus granulosus fmrfamide receptor 0.0069 0.1867 0.2653
Brugia malayi Peroxidasin 0.0039 0.0947 0.0947
Onchocerca volvulus 0.0028 0.0603 0.0563
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0028 0.0603 0.06
Schistosoma mansoni cytochrome P450 0.0018 0.0293 0.0252
Trypanosoma brucei cytochrome P450, putative 0.0027 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0329 1 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.001 0.0054 0.0073
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Schistosoma mansoni neuropeptide receptor 0.0069 0.1867 0.1832
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0055
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0042 0.0042
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0069 0.1867 0.2653
Schistosoma mansoni growth hormone secretagogue receptor 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0069 0.1867 0.2653
Echinococcus granulosus dro:myosuppressin receptor 0.0069 0.1867 0.2653
Schistosoma mansoni neuropeptide receptor 0.0069 0.1867 0.1832
Brugia malayi G-protein coupled receptor 0.0069 0.1867 0.1867
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0069 0.1867 0.2653
Brugia malayi Tachykinin-like peptides receptor 99D 0.0069 0.1867 0.1867
Loa Loa (eye worm) cytochrome P450 0.0018 0.0293 0.029
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0069 0.1867 0.2653
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0069 0.1867 0.2653
Brugia malayi ecdysteroid receptor 0.001 0.0042 0.0042
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0042 0.0055
Schistosoma mansoni adenoreceptor 0.0069 0.1867 0.1832
Echinococcus multilocularis dro:myosuppressin receptor 0.0069 0.1867 0.2653
Schistosoma mansoni opsin-like receptor 0.0069 0.1867 0.1832
Onchocerca volvulus 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0028 0.0603 0.0854
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.7026 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0563
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.1971 0.2802
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.1867 0.1864
Echinococcus granulosus geminin 0.0164 0.485 0.6902
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0042 0.0042
Brugia malayi Cytochrome P450 family protein 0.0027 0.0572 0.0572
Echinococcus granulosus neuropeptide Y receptor 0.0069 0.1867 0.2653
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0069 0.1867 0.1867
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus granulosus sex peptide receptor 0.0069 0.1867 0.2653
Schistosoma mansoni ets-related 0.0218 0.6535 0.652
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0145 0.4265 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Schistosoma mansoni peroxidasin 0.0039 0.0947 0.0909
Echinococcus granulosus ETS domain containing protein Elk 1 0.001 0.0054 0.0073
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.001 0.0054 0.0012
Onchocerca volvulus 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Brugia malayi Blistered cuticle protein 3 0.0039 0.0947 0.0947
Onchocerca volvulus 0.0039 0.0947 0.0909
Schistosoma mansoni biogenic amine receptor 0.0069 0.1867 0.1832
Brugia malayi Animal haem peroxidase family protein 0.0039 0.0947 0.0947
Onchocerca volvulus 0.0048 0.1218 0.118
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Schistosoma mansoni hypothetical protein 0.0069 0.1867 0.1832
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0039 0.095 0.1655
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0563
Onchocerca volvulus Peroxidasin homolog 0.0039 0.0947 0.0909
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0055
Brugia malayi Animal haem peroxidase family protein 0.0039 0.0947 0.0947
Onchocerca volvulus 0.0028 0.0615 0.0576
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.1971 0.1968
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0069 0.1867 0.1832
Brugia malayi Ets-domain containing protein 0.0072 0.1971 0.1971
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi NADH dehydrogenase subunit 1 0.0039 0.095 0.095
Echinococcus multilocularis ewsr:fli fusion protein type 0.001 0.0054 0.0073
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0042
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0042 0.0055
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0069 0.1867 0.1832
Brugia malayi hypothetical protein 0.0028 0.0603 0.0603
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0042 0.0055
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) blistered cuticle protein 3 0.0039 0.0947 0.0944
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0042 0.0042
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1867 0.2653
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0042 0.0039
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1609 0.1573
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Schistosoma mansoni biogenic amine receptor 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0028 0.0603 0.06
Echinococcus multilocularis protein C ets 2 0.001 0.0054 0.0073
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Trypanosoma cruzi cytochrome P450, putative 0.0027 0.0572 1
Brugia malayi hypothetical protein 0.0234 0.7026 0.7026
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0005
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0039 0.095 0.0947
Brugia malayi Dopamine receptor protein 1 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni cpg binding protein 0.003 0.0666 0.0626
Brugia malayi Animal haem peroxidase family protein 0.0039 0.0947 0.0947
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0069 0.1867 0.1832
Onchocerca volvulus 0.0028 0.0603 0.0563
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0069 0.1867 0.1867
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.001 0.0054 0.0051
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Echinococcus multilocularis ETS transcription factor Elf 1 0.001 0.0054 0.0073
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.001 0.0054 0.0051
Brugia malayi DNA-binding protein D-ETS-3 0.001 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0145 0.4265 0.4241
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Echinococcus granulosus peroxidasin 0.0039 0.0947 0.1344
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.1971 0.2802
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0028 0.0603 0.0603
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3605 0.3577
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0572 0.0569
Brugia malayi nuclear hormone receptor 0.001 0.0042 0.0042
Echinococcus granulosus neuropeptides capa receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) animal heme peroxidase 0.0039 0.0947 0.0944
Schistosoma mansoni myosin xvIII 0.0069 0.1867 0.1832
Echinococcus multilocularis 0.0018 0.0293 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0042 0.0042
Loa Loa (eye worm) neuropeptide F receptor 0.0069 0.1867 0.1864
Onchocerca volvulus 0.0069 0.1867 0.1832
Brugia malayi nuclear receptor NHR-88 0.001 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi Trypsin-like protease protein 5 0.0028 0.0603 0.0603
Loa Loa (eye worm) ets-domain-containing protein 0.001 0.0054 0.0051
Schistosoma mansoni histamine h1 receptor 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0042 0.0055
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3605 0.3577
Echinococcus granulosus glycoprotein Antigen 5 0.0028 0.0603 0.0854
Brugia malayi Dopamine receptor protein 2 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni ets 0.001 0.0054 0.0012
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0042 0.0055
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0329 1 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0028 0.0603 0.0854
Echinococcus multilocularis somatostatin receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0054 0.0073
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0042 0.0039
Onchocerca volvulus 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Echinococcus multilocularis neuropeptide s receptor 0.0069 0.1867 0.2653
Schistosoma mansoni tar DNA-binding protein 0.0124 0.3605 0.3577
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Brugia malayi Ets-domain containing protein 0.0072 0.1971 0.1971
Brugia malayi putative neuropeptide receptor 0.0069 0.1867 0.1867
Echinococcus granulosus neuropeptide FF receptor 2 0.0069 0.1867 0.2653
Echinococcus granulosus g protein coupled receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) animal heme peroxidase 0.0039 0.0947 0.0944
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0069 0.1867 0.1832
Brugia malayi Cytochrome P450 family protein 0.0057 0.1508 0.1508
Loa Loa (eye worm) RNA binding protein 0.0124 0.3605 0.3602
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0069 0.1867 0.2653
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus granulosus g protein coupled receptor 0.0069 0.1867 0.2653
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Echinococcus granulosus ewsr:fli fusion protein type 0.001 0.0054 0.0073
Schistosoma mansoni hypothetical protein 0.0018 0.0293 0.0252
Schistosoma mansoni neuropeptide F-like receptor 0.0069 0.1867 0.1832
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Echinococcus multilocularis neuropeptide receptor 0.0069 0.1867 0.2653
Brugia malayi Cytochrome P450 family protein 0.0027 0.0572 0.0572
Schistosoma mansoni biogenic amine (5HT) receptor 0.0069 0.1867 0.1832
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi TAR-binding protein 0.0124 0.3605 0.3605
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0039 0.095 0.0912
Brugia malayi hypothetical protein 0.0039 0.095 0.095
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus multilocularis g-protein coupled receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1867 0.2653
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0042 0.0055
Echinococcus multilocularis G-protein coupled receptor, putative 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Echinococcus granulosus protein C ets 2 0.001 0.0054 0.0073
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0069 0.1867 0.1832
Echinococcus multilocularis transmembrane protease serine 3 0.0028 0.0603 0.0854
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0145 0.4265 0.6069
Brugia malayi transcription factor E74 isoform 0.001 0.0054 0.0054
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0069 0.1867 0.2653
Echinococcus granulosus Mastin 0.0028 0.0603 0.0854
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0603 0.0563
Brugia malayi Ets-domain containing protein 0.001 0.0054 0.0054
Echinococcus multilocularis ETS domain containing protein Elk 1 0.001 0.0054 0.0073
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0145 0.4265 1
Echinococcus multilocularis serotonin receptor 0.0069 0.1867 0.2653
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Schistosoma mansoni neuropeptide receptor 0.0069 0.1867 0.1832
Schistosoma mansoni hypothetical protein 0.0069 0.1867 0.1832
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0042 0.0042
Echinococcus multilocularis ETS transcription factor Elf 5 0.001 0.0054 0.0073
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.1408 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0042 0.0042
Schistosoma mansoni hypothetical protein 0.001 0.0054 0.0012
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi neuropeptide F receptor 0.0069 0.1867 0.1867
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0039 0.095 0.095
Loa Loa (eye worm) hypothetical protein 0.001 0.0042 0.0039
Echinococcus granulosus FTZ F1 alpha 0.001 0.0042 0.0055
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0069 0.1867 0.2653
Schistosoma mansoni biogenic amine (5HT) receptor 0.0069 0.1867 0.1832
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0042 0.0055
Echinococcus multilocularis ets variant gene 4 0.001 0.0054 0.0073
Echinococcus granulosus allatostatin A receptor 0.0069 0.1867 0.2653
Leishmania major cytochrome p450-like protein 0.0027 0.0572 1
Echinococcus multilocularis neuropeptide Y receptor 0.0069 0.1867 0.2653
Brugia malayi Fli-1 protein 0.0218 0.6535 0.6535
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0042 0.0055
Schistosoma mansoni gabp alpha 0.0072 0.1971 0.1937
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Loa Loa (eye worm) cytochrome P450 family protein 0.0057 0.1508 0.1505
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0603 0.0854
Brugia malayi Animal haem peroxidase family protein 0.0039 0.0947 0.0947
Brugia malayi follicle stimulating hormone receptor 0.0069 0.1867 0.1867
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0042 0.0042
Echinococcus multilocularis tar DNA binding protein 0.0124 0.3605 0.5128
Onchocerca volvulus Peroxidase homolog 0.0039 0.0947 0.0909
Echinococcus granulosus neuropeptides capa receptor 0.0069 0.1867 0.2653
Brugia malayi Serotonin receptor 0.0069 0.1867 0.1867
Onchocerca volvulus 0.0069 0.1867 0.1832
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0028 0.0603 0.06
Onchocerca volvulus 0.0069 0.1867 0.1832
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0042 0.0042
Echinococcus multilocularis g protein coupled receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0069 0.1867 0.2653
Brugia malayi RE15519p 0.0069 0.1867 0.1867
Schistosoma mansoni hypothetical protein 0.0048 0.1218 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0042 0.0039
Echinococcus multilocularis Mastin 0.0028 0.0603 0.0854
Brugia malayi larval opioid receptor 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0572 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0042 0.0039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0042 0.0039
Mycobacterium leprae putative cytochrome p450 0.0018 0.0293 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi CXXC zinc finger family protein 0.0028 0.0615 0.0615
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus granulosus tm gpcr rhodopsin 0.0069 0.1867 0.2653
Onchocerca volvulus 0.0039 0.0947 0.0909
Mycobacterium leprae Conserved hypothetical protein 0.0018 0.0293 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0069 0.1867 0.1832
Echinococcus granulosus cpg binding protein 0.003 0.0666 0.0943
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Loa Loa (eye worm) hypothetical protein 0.0234 0.7026 0.7025
Echinococcus granulosus rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Onchocerca volvulus 0.0069 0.1867 0.1832
Onchocerca volvulus 0.0069 0.1867 0.1832
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.001 0.0054 0.0051
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0042 0.0055
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0572 0.0569
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Onchocerca volvulus 0.0039 0.0947 0.0909
Onchocerca volvulus 0.0069 0.1867 0.1832
Echinococcus granulosus peptide allatostatin:somatostatin 0.0069 0.1867 0.2653
Echinococcus granulosus alpha 1A adrenergic receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) trypsin family protein 0.0028 0.0603 0.06
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0069 0.1867 0.1832
Schistosoma mansoni hypothetical protein 0.0069 0.1867 0.1832
Echinococcus granulosus g-protein coupled receptor 0.0069 0.1867 0.2653
Brugia malayi putative neuropeptide receptor NPR1 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni opsin-like receptor 0.0069 0.1867 0.1832
Schistosoma mansoni amine GPCR 0.0069 0.1867 0.1832
Echinococcus multilocularis cpg binding protein 0.003 0.0666 0.0943
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0069 0.1867 0.1864
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Onchocerca volvulus 0.0329 1 1
Schistosoma mansoni ets-related 0.001 0.0054 0.0012
Schistosoma mansoni survival motor neuron protein 0.0048 0.1218 0.118
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Schistosoma mansoni hypothetical protein 0.0028 0.0603 0.0563
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0042 0.0042
Echinococcus multilocularis G protein coupled receptor 139 0.0069 0.1867 0.2653
Loa Loa (eye worm) animal heme peroxidase 0.0039 0.0947 0.0944
Echinococcus granulosus ETS transcription factor Elf 2 0.001 0.0054 0.0073
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Echinococcus multilocularis neuropeptides capa receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis neuropeptide receptor 0.0069 0.1867 0.2653
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.3605 0.3602
Brugia malayi cytochrome P450 0.0018 0.0293 0.0293
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0069 0.1867 0.1864
Brugia malayi RNA binding protein 0.0124 0.3605 0.3605
Echinococcus granulosus biogenic amine 5HT receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis peroxidasin 0.0039 0.0947 0.1344
Onchocerca volvulus 0.0069 0.1867 0.1832
Brugia malayi hypothetical protein 0.0039 0.0947 0.0947
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni biogenic amine receptor 0.0069 0.1867 0.1832
Schistosoma mansoni alpha-1 adrenergic receptor 0.0069 0.1867 0.1832
Loa Loa (eye worm) hypothetical protein 0.0069 0.1867 0.1864
Schistosoma mansoni hypothetical protein 0.0028 0.0603 0.0563
Loa Loa (eye worm) G-protein coupled receptor 0.0069 0.1867 0.1864
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0069 0.1867 0.2653
Brugia malayi G protein-coupled receptor F59B2.13 0.0069 0.1867 0.1867
Onchocerca volvulus 0.0039 0.095 0.0912
Onchocerca volvulus Neuropeptide F receptor homolog 0.0069 0.1867 0.1832
Brugia malayi AKH receptor 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944
Brugia malayi Trypsin family protein 0.0028 0.0603 0.0603
Brugia malayi hypothetical protein 0.0069 0.1867 0.1867
Schistosoma mansoni cpg binding protein 0.003 0.0666 0.0626
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0069 0.1867 0.2653
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0042 0.0055
Echinococcus multilocularis rhodopsin orphan GPCR 0.0069 0.1867 0.2653
Onchocerca volvulus Dual oxidase homolog 0.0039 0.0947 0.0909
Brugia malayi neuropeptide F receptor 0.0069 0.1867 0.1867
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0069 0.1867 0.2653
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0069 0.1867 0.1867
Loa Loa (eye worm) hypothetical protein 0.0039 0.0947 0.0944

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human TLR2 expressed in HEK293 cells assessed as NFkappaB translocation at 10 uM after 12 hrs by secretory alkaline phosphatase reporter gene assay ChEMBL. 22385476
Inhibition (functional) Antagonistic activity at mouse TLR2 expressed in HEK293 cells assessed as inhibition of lipoteichoic acid-induced NFkappaB translocation by secretory alkaline phosphatase reporter gene assay ChEMBL. 22385476
Inhibition (functional) Antagonistic activity at human TLR2 expressed in HEK293 cells assessed as inhibition of lipoteichoic acid-induced NFkappaB translocation by secretory alkaline phosphatase reporter gene assay ChEMBL. 22385476
Inhibition (functional) Antagonistic activity at human TLR2 expressed in HEK293 cells assessed as inhibition of PAM2CS-induced NFkappaB translocation by secretory alkaline phosphatase reporter gene assay ChEMBL. 22385476
Inhibition (functional) Antagonistic activity at mouse TLR2 expressed in HEK293 cells assessed as inhibition of PAM2CS-induced NFkappaB translocation by secretory alkaline phosphatase reporter gene assay ChEMBL. 22385476

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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