Detailed information for compound 252778

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.386 | Formula: C16H16N4O6S
  • H donors: 2 H acceptors: 6 LogP: 2.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)C(N(Sc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)[N+](=O)[O-])C
  • InChi: 1S/C16H16N4O6S/c1-11(16(21)17-22)18(10-12-2-4-13(5-3-12)19(23)24)27-15-8-6-14(7-9-15)20(25)26/h2-9,11,22H,10H2,1H3,(H,17,21)
  • InChiKey: NZNHOVBNJSAOSZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Clostridium perfringens (strain 13 / Type A) Microbial collagenase Starlite/ChEMBL References

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) gonadotropin-releasing hormone receptor 2 0.0066 0.0232 0.0827
Brugia malayi Tachykinin-like peptides receptor 99D 0.0066 0.0232 0.0935
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0066 0.0232 0.0232
Toxoplasma gondii aspartyl protease ASP1 0.0301 0.2805 1
Echinococcus granulosus g protein coupled receptor 0.0066 0.0232 0.0827
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Echinococcus granulosus dro:myosuppressin receptor 0.0066 0.0232 0.0827
Schistosoma mansoni histamine h1 receptor 0.0066 0.0232 0.0232
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Brugia malayi hypothetical protein 0.008 0.0383 0.1543
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis serotonin receptor 0.0066 0.0232 0.0827
Loa Loa (eye worm) TYRA-2 protein 0.0066 0.0232 0.0827
Brugia malayi aspartic protease BmAsp-2, identical 0.008 0.0383 0.1543
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis neuropeptide Y receptor 0.0066 0.0232 0.0827
Brugia malayi Pepsin A precursor 0.008 0.0383 0.1543
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0066 0.0232 0.0827
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) neuropeptide F receptor 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus neuropeptides capa receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0066 0.0232 0.0827
Echinococcus granulosus fmrfamide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0301 0.2805 0.2805
Loa Loa (eye worm) G-protein coupled receptor 0.0066 0.0232 0.0827
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0066 0.0232 0.0827
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0301 0.2805 0.5
Plasmodium vivax aspartyl proteinase, putative 0.0301 0.2805 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0066 0.0232 0.0827
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis orexin receptor type 2 0.0066 0.0232 0.0827
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine (5HT) receptor 0.0066 0.0232 0.0232
Echinococcus granulosus 7tm_1 domain containing protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0272 0.2484 0.8855
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Plasmodium falciparum plasmepsin X 0.0159 0.1252 0.3587
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0066 0.0232 0.0827
Brugia malayi Dopamine receptor protein 1 0.0066 0.0232 0.0935
Brugia malayi GnHR receptor homolog 0.0066 0.0232 0.0935
Loa Loa (eye worm) neuropeptide F receptor 0.0066 0.0232 0.0827
Schistosoma mansoni hypothetical protein 0.0066 0.0232 0.0232
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni neuropeptide f receptor 76f 0.0066 0.0232 0.0232
Schistosoma mansoni amine GPCR 0.0066 0.0232 0.0232
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Brugia malayi Eukaryotic aspartyl protease family protein 0.008 0.0383 0.1543
Echinococcus granulosus 7TM GPCR rhodopsin 0.0066 0.0232 0.0827
Schistosoma mansoni opsin-like receptor 0.0066 0.0232 0.0232
Schistosoma mansoni neuropeptide F-like receptor 0.0066 0.0232 0.0232
Brugia malayi neuropeptide F receptor 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Plasmodium vivax plasmepsin IV, putative 0.0301 0.2805 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis sex peptide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Schistosoma mansoni biogenic amine receptor 0.0066 0.0232 0.0232
Brugia malayi Dopamine receptor 0.0066 0.0232 0.0935
Echinococcus granulosus allatostatin A receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis fmrfamide receptor 0.0066 0.0232 0.0827
Plasmodium falciparum plasmepsin II 0.0301 0.2805 1
Schistosoma mansoni amine GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis somatostatin receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis G-protein coupled receptor, putative 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Echinococcus multilocularis g protein coupled receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis neuropeptide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Brugia malayi Serotonin receptor 0.0066 0.0232 0.0935
Brugia malayi Serotonin receptor 0.0066 0.0232 0.0935
Loa Loa (eye worm) aspartic protease BmAsp-1 0.008 0.0383 0.1366
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0066 0.0232 0.0827
Echinococcus granulosus neuropeptide Y receptor 0.0066 0.0232 0.0827
Schistosoma mansoni amine GPCR 0.0066 0.0232 0.0232
Onchocerca volvulus 0.008 0.0383 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0301 0.2805 1
Schistosoma mansoni hypothetical protein 0.0066 0.0232 0.0232
Echinococcus multilocularis g protein coupled receptor 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Plasmodium vivax aspartyl protease, putative 0.0159 0.1252 0.3587
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0066 0.0232 0.0827
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Echinococcus multilocularis neuropeptide s receptor 0.0066 0.0232 0.0827
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0066 0.0232 0.0827
Echinococcus granulosus g protein coupled receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.008 0.0383 0.1366
Echinococcus granulosus tm gpcr rhodopsin 0.0066 0.0232 0.0827
Echinococcus granulosus orexin receptor type 2 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis fmrfamide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Schistosoma mansoni neuropeptide receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0066 0.0232 0.0232
Schistosoma mansoni neuropeptide receptor 0.0066 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0066 0.0232 0.0232
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0066 0.0232 0.0827
Echinococcus granulosus neuropeptide s receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0066 0.0232 0.0827
Echinococcus multilocularis g protein coupled receptor 0.0066 0.0232 0.0827
Schistosoma mansoni growth hormone secretagogue receptor 0.0066 0.0232 0.0232
Brugia malayi G-protein coupled receptor 0.0066 0.0232 0.0935
Schistosoma mansoni neuropeptide receptor 0.0066 0.0232 0.0232
Echinococcus granulosus biogenic amine 5HT receptor 0.0066 0.0232 0.0827
Brugia malayi follicle stimulating hormone receptor 0.0066 0.0232 0.0935
Echinococcus granulosus tm gpcr rhodopsin 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Schistosoma mansoni neuropeptide F-like receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis neuropeptide FF receptor 2 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Echinococcus granulosus peptide allatostatin:somatostatin 0.0066 0.0232 0.0827
Echinococcus multilocularis dro:myosuppressin receptor 0.0066 0.0232 0.0827
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0066 0.0232 0.0827
Brugia malayi aspartic protease BmAsp-1, identical 0.008 0.0383 0.1543
Echinococcus granulosus neuropeptide Y receptor 0.0066 0.0232 0.0827
Echinococcus granulosus G protein coupled receptor 139 0.0066 0.0232 0.0827
Echinococcus granulosus biogenic amine 5HT receptor 0.0066 0.0232 0.0827
Brugia malayi neuropeptide F receptor 0.0066 0.0232 0.0935
Echinococcus granulosus neuropeptide receptor 0.0066 0.0232 0.0827
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Echinococcus multilocularis allatostatin A receptor 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Plasmodium falciparum plasmepsin IX 0.0159 0.1252 0.3587
Brugia malayi AKH receptor 0.0066 0.0232 0.0935
Echinococcus granulosus g protein coupled receptor 0.0066 0.0232 0.0827
Brugia malayi Dopamine receptor protein 2 0.0066 0.0232 0.0935
Brugia malayi ORL1-like opioid receptor 0.0066 0.0232 0.0935
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi sulfakinin receptor protein 0.0272 0.2484 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.2805 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi putative neuropeptide receptor NPR1 0.0066 0.0232 0.0935
Schistosoma mansoni alpha-1 adrenergic receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0066 0.0232 0.0827
Brugia malayi Melatonin receptor type 1A 0.0066 0.0232 0.0935
Brugia malayi larval opioid receptor 0.0066 0.0232 0.0935
Echinococcus granulosus neuropeptides capa receptor 0.0066 0.0232 0.0827
Onchocerca volvulus 0.008 0.0383 1
Schistosoma mansoni amine GPCR 0.0066 0.0232 0.0232
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0066 0.0232 0.0827
Toxoplasma gondii aspartyl protease ASP3 0.0159 0.1252 0.3587
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0066 0.0232 0.0232
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0066 0.0232 0.0232
Schistosoma mansoni cathepsin D (A01 family) 0.096 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0066 0.0232 0.0827
Brugia malayi putative neuropeptide receptor 0.0066 0.0232 0.0935
Echinococcus multilocularis neuropeptides capa receptor 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Echinococcus multilocularis neuropeptide receptor A26 0.0066 0.0232 0.0827
Schistosoma mansoni neuropeptide receptor 0.0066 0.0232 0.0232
Schistosoma mansoni opsin-like receptor 0.0066 0.0232 0.0232
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Plasmodium vivax aspartyl protease, putative 0.0159 0.1252 0.3587
Schistosoma mansoni biogenic amine (5HT) receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0066 0.0232 0.0827
Echinococcus granulosus neuropeptide FF receptor 2 0.0066 0.0232 0.0827
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0066 0.0232 0.0827
Schistosoma mansoni hypothetical protein 0.0066 0.0232 0.0232
Brugia malayi G protein-coupled receptor F59B2.13 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0066 0.0232 0.0935
Schistosoma mansoni opsin-like receptor 0.0066 0.0232 0.0232
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Echinococcus granulosus somatostatin receptor 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.008 0.0383 0.1366
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0301 0.2805 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus sex peptide receptor 0.0066 0.0232 0.0827
Echinococcus granulosus g-protein coupled receptor 0.0066 0.0232 0.0827
Schistosoma mansoni memapsin-2 (A01 family) 0.008 0.0383 0.0383
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus tm gpcr rhodopsin 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0066 0.0232 0.0935
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) aspartyl protease 6 0.008 0.0383 0.1366
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) G-protein coupled receptor 0.0066 0.0232 0.0827
Schistosoma mansoni adenoreceptor 0.0066 0.0232 0.0232
Brugia malayi hypothetical protein 0.008 0.0383 0.1543
Brugia malayi G protein-coupled receptor 0.0066 0.0232 0.0935
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0301 0.2805 1
Echinococcus multilocularis neuropeptides capa receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) melatonin receptor type 1A 0.0066 0.0232 0.0827
Echinococcus multilocularis neuropeptide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Plasmodium falciparum plasmepsin VI 0.0301 0.2805 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.008 0.0383 0.0383
Brugia malayi G-protein coupled receptor 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0066 0.0232 0.0232
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0365 0.3502 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0066 0.0232 0.0827
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0066 0.0232 0.0935
Brugia malayi hypothetical protein 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus granulosus rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0301 0.2805 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0066 0.0232 0.0232
Schistosoma mansoni myosin xvIII 0.0066 0.0232 0.0232
Echinococcus granulosus serotonin receptor 0.0066 0.0232 0.0827
Plasmodium falciparum plasmepsin I 0.0301 0.2805 1
Echinococcus granulosus neuropeptide receptor 0.0066 0.0232 0.0827
Schistosoma mansoni amine GPCR 0.0066 0.0232 0.0232
Brugia malayi RE15519p 0.0066 0.0232 0.0935
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis neuropeptide Y receptor 0.0066 0.0232 0.0827
Echinococcus multilocularis serotonin receptor 0.0066 0.0232 0.0827
Brugia malayi hypothetical protein 0.0272 0.2484 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Plasmodium falciparum plasmepsin IV 0.0301 0.2805 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis G protein coupled receptor 139 0.0066 0.0232 0.0827
Loa Loa (eye worm) hypothetical protein 0.0066 0.0232 0.0827
Echinococcus multilocularis g-protein coupled receptor 0.0066 0.0232 0.0827
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0066 0.0232 0.0232
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0066 0.0232 0.0827

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11 uM Inhibition of Clostridium histolyticum collagenase using a linear regression program ChEMBL. 10743957
Ki (binding) = 11 uM Inhibition of Clostridium histolyticum collagenase using a linear regression program ChEMBL. 10743957

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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