Detailed information for compound 153461

Basic information

Technical information
  • TDR Targets ID: 153461
  • Name: [amino-[3-[5-(ethylsulfonylmethyl)-5-[[4-(2-s ulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazo l-3-yl]phenyl]methylidene]azanium; 2,2,2-trif luoroacetate
  • MW: 683.676 | Formula: C28H28F3N5O8S2
  • H donors: 4 H acceptors: 7 LogP: 2.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)C(F)(F)F.CCS(=O)(=O)CC1(ON=C(C1)c1cccc(c1)C(=N)N)C(=O)Nc1ccc(cc1)c1ccccc1S(=O)(=O)N
  • InChi: 1S/C26H27N5O6S2.C2HF3O2/c1-2-38(33,34)16-26(15-22(31-37-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)39(29,35)36;3-2(4,5)1(6)7/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,35,36);(H,6,7)
  • InChiKey: WZXODSOHISCQTI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [amino-[3-[5-(ethylsulfonylmethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-isoxazol-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate
  • [amino-[3-[5-(ethylsulfonylmethyl)-5-[oxo-[4-(2-sulfamoylphenyl)anilino]methyl]-4H-isoxazol-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate
  • [azanyl-[3-[5-(ethylsulfonylmethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroethanoate
  • [amino-[3-[5-(esylmethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-2-isoxazolin-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate
  • [amino-[3-[5-(ethylsulfonylmethyl)-5-[oxo-[[4-(2-sulfamoylphenyl)phenyl]amino]methyl]-4H-isoxazol-3-yl]phenyl]methylene]ammonium; 2,2,2-trifluoroacetate
  • [amino-[3-[5-(ethylsulfonylmethyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-3-yl]phenyl]methylidene]azanium; 2,2,2-trifluoroethanoate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protease, serine, 1 (trypsin 1) Starlite/ChEMBL References
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis g protein coupled receptor 0.0109 0.2266 1
Echinococcus granulosus dro:myosuppressin receptor 0.0109 0.2266 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus granulosus neuropeptide receptor 0.0109 0.2266 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0109 0.2266 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.012 0.2533 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.2266 0.8946
Echinococcus granulosus 7tm_1 domain containing protein 0.0109 0.2266 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0109 0.2266 0.8946
Schistosoma mansoni myosin xvIII 0.0109 0.2266 0.8946
Brugia malayi G-protein coupled receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) neuropeptide F receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus multilocularis neuropeptide receptor A26 0.0109 0.2266 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0109 0.2266 0.8946
Brugia malayi larval opioid receptor 0.0109 0.2266 0.8946
Schistosoma mansoni neuropeptide receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni biogenic amine (5HT) receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus granulosus biogenic amine 5HT receptor 0.0109 0.2266 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0109 0.2266 1
Echinococcus multilocularis neuropeptide s receptor 0.0109 0.2266 1
Echinococcus granulosus neuropeptide receptor 0.0109 0.2266 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis neuropeptide receptor 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.2266 0.8946
Brugia malayi neuropeptide F receptor 0.0109 0.2266 0.8946
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.012 0.2533 1
Echinococcus multilocularis allatostatin A receptor 0.0109 0.2266 1
Schistosoma mansoni hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi Trypsin family protein 0.012 0.2533 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus granulosus neuropeptide Y receptor 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.2266 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis G-protein coupled receptor, putative 0.0109 0.2266 1
Onchocerca volvulus 0.012 0.2533 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0109 0.2266 0.8946
Echinococcus granulosus g protein coupled receptor 0.0109 0.2266 1
Loa Loa (eye worm) TYRA-2 protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis g protein coupled receptor 0.0109 0.2266 1
Brugia malayi Dopamine receptor protein 2 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0109 0.2266 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus neuropeptide FF receptor 2 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.012 0.2533 1
Brugia malayi Melatonin receptor type 1A 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis serotonin receptor 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis dro:myosuppressin receptor 0.0109 0.2266 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Leishmania major hypothetical protein, conserved 0.0021 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0109 0.2266 0.8946
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0109 0.2266 0.8946
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.2266 1
Schistosoma mansoni neuropeptide receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0109 0.2266 0.8946
Schistosoma mansoni amine GPCR 0.0109 0.2266 0.8946
Echinococcus granulosus allatostatin A receptor 0.0109 0.2266 1
Echinococcus granulosus serotonin receptor 0.0109 0.2266 1
Brugia malayi Dopamine receptor protein 1 0.0109 0.2266 0.8946
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.2266 1
Brugia malayi follicle stimulating hormone receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) G-protein coupled receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0109 0.2266 1
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni amine GPCR 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0106 0.219 0.8644
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.2266 1
Echinococcus multilocularis fmrfamide receptor 0.0109 0.2266 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0109 0.2266 0.8946
Echinococcus granulosus peptide allatostatin:somatostatin 0.0109 0.2266 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0109 0.2266 0.8946
Schistosoma mansoni neuropeptide receptor 0.0109 0.2266 0.8946
Schistosoma mansoni biogenic amine receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0109 0.2266 1
Echinococcus multilocularis serotonin receptor 0.0109 0.2266 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi AKH receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Mycobacterium ulcerans isocitrate lyase Icl 0.041 1 0.5
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus orexin receptor type 2 0.0109 0.2266 1
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.041 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis fmrfamide receptor 0.0109 0.2266 1
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.2266 1
Echinococcus granulosus g-protein coupled receptor 0.0109 0.2266 1
Echinococcus granulosus neuropeptides capa receptor 0.0109 0.2266 1
Brugia malayi sulfakinin receptor protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi G-protein coupled receptor 0.0109 0.2266 0.8946
Schistosoma mansoni amine GPCR 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0109 0.2266 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0109 0.2266 1
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) melatonin receptor type 1A 0.0109 0.2266 0.8946
Echinococcus granulosus tm gpcr rhodopsin 0.0109 0.2266 1
Echinococcus multilocularis somatostatin receptor 0.0109 0.2266 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.2266 0.8946
Echinococcus granulosus alpha 1A adrenergic receptor 0.0109 0.2266 1
Echinococcus multilocularis g protein coupled receptor 0.0109 0.2266 1
Echinococcus multilocularis neuropeptides capa receptor 0.0109 0.2266 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0109 0.2266 0.8946
Echinococcus granulosus sex peptide receptor 0.0109 0.2266 1
Loa Loa (eye worm) G-protein coupled receptor 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni opsin-like receptor 0.0109 0.2266 0.8946
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0109 0.2266 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0109 0.2266 0.8946
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0109 0.2266 0.8946
Brugia malayi putative neuropeptide receptor 0.0109 0.2266 0.8946
Echinococcus granulosus neuropeptide Y receptor 0.0109 0.2266 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0109 0.2266 1
Echinococcus multilocularis g-protein coupled receptor 0.0109 0.2266 1
Schistosoma mansoni neuropeptide F-like receptor 0.0109 0.2266 0.8946
Schistosoma mansoni adenoreceptor 0.0109 0.2266 0.8946
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0109 0.2266 1
Toxoplasma gondii kringle domain-containing protein 0.0021 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0109 0.2266 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi GnHR receptor homolog 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni opsin-like receptor 0.0109 0.2266 0.8946
Echinococcus granulosus g protein coupled receptor 0.0109 0.2266 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0109 0.2266 0.8946
Echinococcus granulosus somatostatin receptor 0.0109 0.2266 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni amine GPCR 0.0109 0.2266 0.8946
Echinococcus multilocularis neuropeptide FF receptor 2 0.0109 0.2266 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0109 0.2266 0.8946
Schistosoma mansoni neuropeptide receptor 0.0109 0.2266 0.8946
Schistosoma mansoni neuropeptide f receptor 76f 0.0109 0.2266 0.8946
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Schistosoma mansoni histamine h1 receptor 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus multilocularis neuropeptide Y receptor 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Schistosoma mansoni hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0109 0.2266 1
Echinococcus granulosus hypothetical protein 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi RE15519p 0.0109 0.2266 0.8946
Echinococcus granulosus G protein coupled receptor 139 0.0109 0.2266 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus fmrfamide receptor 0.0109 0.2266 1
Schistosoma mansoni biogenic amine receptor 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Mycobacterium ulcerans isocitrate lyase AceAb 0.041 1 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0109 0.2266 0.8946
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0109 0.2266 0.8946
Brugia malayi neuropeptide F receptor 0.0109 0.2266 0.8946
Brugia malayi G protein-coupled receptor F59B2.13 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni hypothetical protein 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Echinococcus granulosus neuropeptides capa receptor 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni hypothetical protein 0.0109 0.2266 0.8946
Onchocerca volvulus Neuropeptide F receptor homolog 0.0109 0.2266 0.8946
Onchocerca volvulus 0.0109 0.2266 0.8946
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Brugia malayi ORL1-like opioid receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis neuropeptide receptor 0.0109 0.2266 1
Brugia malayi putative neuropeptide receptor NPR1 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus granulosus neuropeptide receptor A26 0.0109 0.2266 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0109 0.2266 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0 0.5
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.041 1 0.5
Brugia malayi hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni opsin-like receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Schistosoma mansoni biogenic amine receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus neuropeptide s receptor 0.0109 0.2266 1
Onchocerca volvulus 0.0109 0.2266 0.8946
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0109 0.2266 0.8946
Echinococcus granulosus rhodopsin orphan GPCR 0.0109 0.2266 1
Schistosoma mansoni amine GPCR 0.0109 0.2266 0.8946
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.041 1 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.2533 1
Brugia malayi G protein-coupled receptor 0.0109 0.2266 0.8946
Brugia malayi Serotonin receptor 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus granulosus tachykinin peptides receptor 99D 0.0109 0.2266 1
Echinococcus granulosus g protein coupled receptor 0.0109 0.2266 1
Brugia malayi Serotonin receptor 0.0109 0.2266 0.8946
Echinococcus multilocularis rhodopsin orphan GPCR 0.0109 0.2266 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0109 0.2266 1
Echinococcus multilocularis sex peptide receptor 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Echinococcus multilocularis orexin receptor type 2 0.0109 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) hypothetical protein 0.0109 0.2266 0.8946
Loa Loa (eye worm) neuropeptide F receptor 0.0109 0.2266 0.8946
Brugia malayi Dopamine receptor 0.0109 0.2266 0.8946

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3.5 nM Binding affinity towards human purified Coagulation factor Xa (FXa) ChEMBL. 10425087
Ki (binding) = 3.5 nM Binding affinity towards human purified Coagulation factor Xa (FXa) ChEMBL. 10425087
Ki (binding) = 72 nM Binding affinity towards trypsin obtained from human purified enzymes ChEMBL. 10425087
Ki (binding) = 72 nM Binding affinity towards trypsin obtained from human purified enzymes ChEMBL. 10425087
Ki (binding) = 2000 nM Binding affinity towards thrombin obtained from human purified enzymes ChEMBL. 10425087
Ki (binding) = 2000 nM Binding affinity towards thrombin obtained from human purified enzymes ChEMBL. 10425087

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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