Detailed information for compound 343767

Basic information

Technical information
  • TDR Targets ID: 343767
  • Name: (1R,3aR,4aS,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluoro phenyl)pyridin-2-yl]ethenyl]-1-methyl-3a,4,4a ,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benz ofuran-3-one
  • MW: 405.504 | Formula: C26H28FNO2
  • H donors: 0 H acceptors: 2 LogP: 6.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@H]1OC(=O)[C@H]2[C@@H]1[C@@H](/C=C/c1ccc(cn1)c1cccc(c1)F)[C@H]1[C@H](C2)CCCC1
  • InChi: 1S/C26H28FNO2/c1-16-25-23(22-8-3-2-5-18(22)14-24(25)26(29)30-16)12-11-21-10-9-19(15-28-21)17-6-4-7-20(27)13-17/h4,6-7,9-13,15-16,18,22-25H,2-3,5,8,14H2,1H3/b12-11+/t16-,18+,22-,23+,24-,25+/m1/s1
  • InChiKey: MWHSRQUFYMKSEV-HLBWOJLBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,3aR,4aS,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)-2-pyridyl]vinyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f]isobenzofuran-3-one
  • (1R,3aR,4aS,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-naphtho[3,2-c]furan-3-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) receptor 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
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis G protein coupled receptor 139 0.0013 0.0022 0.0022
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0013 0.0022 0.0022
Brugia malayi prolyl 4-hydroxylase 0.013 0.0525 0.0518
Echinococcus multilocularis g-protein coupled receptor 0.0013 0.0022 0.0022
Schistosoma mansoni histamine h1 receptor 0.0013 0.0022 0.0022
Echinococcus granulosus Zinc finger MYND domain containing protein 12 0.0016 0.0038 0.0038
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0145 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0079 0.0306 0.2175
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0013 0.0022 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0427 0.3138
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2334 1 1
Schistosoma mansoni opsin-like receptor 0.0013 0.0022 0.0022
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.0624 0.0617
Loa Loa (eye worm) G-protein coupled receptor 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Trypanosoma brucei MYND finger, putative 0.0016 0.0038 0.0006
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.0022 0.0022
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0013 0.0022 0.0022
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Echinococcus granulosus neuropeptide receptor A26 0.0013 0.0022 0.0022
Entamoeba histolytica hypothetical protein 0.0091 0.036 0.2601
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0013 0.0022 0.0022
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.0022 0.0022
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) phosphatidylinositol 3 0.0035 0.0118 0.011
Schistosoma mansoni opsin-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0038 0.003
Echinococcus granulosus zinc finger MYND domain containing protein 0.0016 0.0038 0.0038
Echinococcus multilocularis cpg binding protein 0.0032 0.0105 0.0105
Leishmania major hypothetical protein, conserved 0.0017 0.0041 0.0009
Brugia malayi MYND finger family protein 0.0016 0.0038 0.0031
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0868 0.3698 0.3678
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.0132 0.0798
Schistosoma mansoni amine GPCR 0.0013 0.0022 0.0022
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0013 0.0022 0.0022
Echinococcus granulosus orexin receptor type 2 0.0013 0.0022 0.0022
Echinococcus granulosus tm gpcr rhodopsin 0.0013 0.0022 0.0022
Loa Loa (eye worm) melatonin receptor type 1A 0.0013 0.0022 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0038 0.0006
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Toxoplasma gondii tetratricopeptide repeat-containing protein 0.013 0.0525 0.0494
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0145 0.085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.0624 0.0624
Trypanosoma cruzi MYND finger, putative 0.0016 0.0038 0.0006
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Echinococcus multilocularis neuropeptide s receptor 0.0013 0.0022 0.0022
Toxoplasma gondii MYND finger domain-containing protein 0.0016 0.0038 0.0006
Schistosoma mansoni neuropeptide receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis neuropeptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0013 0.0022 0.0022
Plasmodium falciparum MYND-type zinc finger protein, putative 0.0016 0.0038 0.0553
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0038 0.0006
Schistosoma mansoni adenoreceptor 0.0013 0.0022 0.0022
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0038 0.0006
Toxoplasma gondii hypothetical protein 0.0016 0.0038 0.0006
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0015 0.0032 0.0032
Brugia malayi RE15519p 0.0013 0.0022 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0038 0.0006
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0013 0.0022 0.0022
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Entamoeba histolytica hypothetical protein 0.0041 0.0143 0.0884
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0013 0.0022 0.0022
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.0427 0.0427
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0013 0.0022 0.0015
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.013 0.0525 0.0494
Loa Loa (eye worm) acetyltransferase 0.0153 0.0624 0.0617
Echinococcus granulosus somatostatin receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis zinc finger MYND domain containing protein 0.0016 0.0038 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0038 0.0006
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0013 0.0022 0.0015
Schistosoma mansoni neuropeptide F-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2334 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0013 0.0022 0.0022
Brugia malayi sulfakinin receptor protein 0.0013 0.0022 0.0015
Trypanosoma cruzi hypothetical protein 0.0016 0.0038 0.0006
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2334 1 1
Entamoeba histolytica hypothetical protein 0.0041 0.0143 0.0884
Echinococcus multilocularis neuropeptide FF receptor 2 0.0013 0.0022 0.0022
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.013 0.0525 0.0494
Echinococcus granulosus 7TM GPCR rhodopsin 0.0013 0.0022 0.0022
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0427 0.3138
Schistosoma mansoni ankyrin repeat and mynd domain containing 0.0016 0.0038 0.0038
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.0022 0.0022
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.0606 0.0606
Brugia malayi phosphoinositide-dependent protein kinase I 0.0107 0.0427 0.042
Brugia malayi Dopamine receptor 0.0013 0.0022 0.0015
Loa Loa (eye worm) phosphatidylinositol 3 0.0192 0.0794 0.0786
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis allatostatin A receptor 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Echinococcus granulosus dnaJ subfamily B 0.0431 0.1821 0.1821
Echinococcus granulosus neuropeptides capa receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0017 0.0041 0.0704
Echinococcus multilocularis serotonin receptor 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Echinococcus granulosus sex peptide receptor 0.0013 0.0022 0.0022
Toxoplasma gondii oxidoreductase, 2OG-Fe(II) oxygenase family protein 0.013 0.0525 0.0494
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Echinococcus granulosus neuropeptide s receptor 0.0013 0.0022 0.0022
Leishmania major hypothetical protein, conserved 0.013 0.0525 0.0494
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.0143 0.0143
Schistosoma mansoni hypothetical protein 0.0016 0.0038 0.0038
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0098 0.009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0051 0.0186 0.1224
Brugia malayi putative neuropeptide receptor 0.0013 0.0022 0.0015
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0013 0.0022 0.0022
Brugia malayi Dopamine receptor protein 2 0.0013 0.0022 0.0015
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0161 0.0129
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0074 0.0287 0.0287
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Plasmodium vivax hypothetical protein, conserved 0.0016 0.0038 0.0484
Echinococcus multilocularis G-protein coupled receptor, putative 0.0013 0.0022 0.0022
Echinococcus granulosus neuropeptide Y receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0013 0.0022 0.0014
Echinococcus multilocularis g protein coupled receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis neuropeptide Y receptor 0.0013 0.0022 0.0022
Echinococcus granulosus peptide allatostatin:somatostatin 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0161 0.1023
Brugia malayi G-protein coupled receptor 0.0013 0.0022 0.0015
Echinococcus granulosus SET and MYND domain containing protein 3 0.0016 0.0038 0.0038
Echinococcus granulosus biogenic amine 5HT receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis programmed cell death protein 2 0.0016 0.0038 0.0038
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0216 0.0894 0.0894
Trypanosoma brucei MYND finger, putative 0.0016 0.0038 0.0006
Loa Loa (eye worm) hypothetical protein 0.0074 0.0287 0.0279
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Leishmania major hypothetical protein, unknown function 0.013 0.0525 0.0494
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis neuropeptides capa receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0016 0.0038 0.0038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.0143 0.0143
Loa Loa (eye worm) programmed cell death protein 2 domain-containing protein 0.0016 0.0038 0.003
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0015 0.0032 0.0032
Loa Loa (eye worm) prolyl 4-hydroxylase 2 0.013 0.0525 0.0517
Echinococcus granulosus fmrfamide receptor 0.0013 0.0022 0.0022
Echinococcus granulosus cpg binding protein 0.0032 0.0105 0.0105
Echinococcus granulosus hypothetical protein 0.0013 0.0022 0.0022
Loa Loa (eye worm) MYND finger family protein 0.0016 0.0038 0.003
Trypanosoma cruzi hypothetical protein, conserved 0.0016 0.0038 0.0006
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.015 0.0615 0.5
Schistosoma mansoni pcdc2/rp-8 (programmed cell death protein 2) 0.0016 0.0038 0.0038
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Loa Loa (eye worm) neuropeptide F receptor 0.0013 0.0022 0.0014
Entamoeba histolytica protein kinase, putative 0.0107 0.0427 0.3138
Brugia malayi neuropeptide F receptor 0.0013 0.0022 0.0015
Brugia malayi MYND finger family protein 0.0016 0.0038 0.0031
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Entamoeba histolytica hypothetical protein 0.0041 0.0143 0.0884
Brugia malayi MYND finger family protein 0.0016 0.0038 0.0031
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis dro:myosuppressin receptor 0.0013 0.0022 0.0022
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0017 0.0041 0.0805
Echinococcus granulosus g protein coupled receptor 0.0013 0.0022 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Leishmania major MYND finger domain-like protein 0.0016 0.0038 0.0006
Treponema pallidum fructose-bisphosphate aldolase 0.0308 0.1292 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0013 0.0022 0.0022
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0013 0.0022 0.0022
Schistosoma mansoni biogenic amine (5HT) receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis Zinc finger, PHD finger 0.0015 0.0032 0.0032
Schistosoma mansoni cpg binding protein 0.0032 0.0105 0.0105
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0027 0.0083 0.0357
Echinococcus multilocularis dnaJ subfamily B 0.0431 0.1821 0.1821
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0115 0.046 0.3399
Schistosoma mansoni biogenic amine receptor 0.0013 0.0022 0.0022
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.013 0.0525 0.0494
Brugia malayi larval opioid receptor 0.0013 0.0022 0.0015
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0038 0.0132 0.0798
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Brugia malayi neuropeptide F receptor 0.0013 0.0022 0.0015
Leishmania major MYND zinc finger (ZnF) domain-like protein 0.0016 0.0038 0.0006
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0013 0.0022 0.0015
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0115 0.046 0.3399
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) neuropeptide F receptor 0.0013 0.0022 0.0014
Echinococcus granulosus neuropeptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni myosin xvIII 0.0013 0.0022 0.0022
Schistosoma mansoni biogenic amine receptor 0.0013 0.0022 0.0022
Leishmania major hypothetical protein, conserved 0.0016 0.0038 0.0006
Toxoplasma gondii hypoxia- inducible factor prolyl hydroxylase (phd2), putative 0.013 0.0525 0.0494
Schistosoma mansoni hypothetical protein 0.0013 0.0022 0.0022
Brugia malayi CXXC zinc finger family protein 0.003 0.0098 0.009
Onchocerca volvulus Buzidau homolog 0.0016 0.0038 0.0312
Echinococcus granulosus g protein coupled receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0042 0.0042
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0013 0.0022 0.0022
Brugia malayi G-protein coupled receptor 0.0013 0.0022 0.0015
Echinococcus granulosus dro:myosuppressin receptor 0.0013 0.0022 0.0022
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2334 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis fmrfamide receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0015 0.0032 0.0032
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0016 0.0038 0.0031
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0015 0.0032 0.0032
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0038 0.0132 0.0798
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.013 0.0525 0.0494
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0107 0.0427 0.042
Echinococcus granulosus prolyl 4 hydroxylase subunit alpha 1 0.013 0.0525 0.0525
Leishmania major hypothetical protein, unknown function 0.0016 0.0038 0.0006
Schistosoma mansoni amine GPCR 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0115 0.046 0.3399
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis fmrfamide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0013 0.0022 0.0022
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.1292 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0013 0.0022 0.0022
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0038 0.0132 0.0101
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0013 0.0022 0.0022
Schistosoma mansoni prolyl 4-hydroxylase alpha subunit 1 0.013 0.0525 0.0525
Giardia lamblia Fructose-bisphosphate aldolase 0.0308 0.1292 1
Loa Loa (eye worm) TYRA-2 protein 0.0013 0.0022 0.0014
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0015 0.0032 0.0032
Echinococcus granulosus alpha 1A adrenergic receptor 0.0013 0.0022 0.0022
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0074 0.0287 0.0279
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.0022 0.0022
Echinococcus multilocularis ankyrin repeat and MYND domain containing protein 0.0016 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0091 0.036 0.2601
Brugia malayi Programmed cell death protein 2, C-terminal domain containing protein 0.0016 0.0038 0.0031
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Entamoeba histolytica hypothetical protein 0.0041 0.0143 0.0884
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0013 0.0022 0.0014
Schistosoma mansoni amine GPCR 0.0013 0.0022 0.0022
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0115 0.046 0.3399
Echinococcus multilocularis prolyl 4 hydroxylase subunit alpha 1 0.013 0.0525 0.0525
Schistosoma mansoni growth hormone secretagogue receptor 0.0013 0.0022 0.0022
Schistosoma mansoni neuropeptide F-like receptor 0.0013 0.0022 0.0022
Echinococcus granulosus neuropeptide receptor 0.0013 0.0022 0.0022
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Schistosoma mansoni hypothetical protein 0.0041 0.0143 0.0143
Echinococcus multilocularis g protein coupled receptor 0.0013 0.0022 0.0022
Plasmodium vivax MYND finger protein, putative 0.0016 0.0038 0.0484
Brugia malayi putative neuropeptide receptor NPR1 0.0013 0.0022 0.0015
Echinococcus multilocularis sex peptide receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2334 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0308 0.1292 1
Schistosoma mansoni amine GPCR 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.015 0.0615 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni biogenic amine (5HT) receptor 0.0013 0.0022 0.0022
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Schistosoma mansoni amine GPCR 0.0013 0.0022 0.0022
Echinococcus granulosus g-protein coupled receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis Zinc finger, MYND type 0.0016 0.0038 0.0038
Echinococcus granulosus allatostatin A receptor 0.0013 0.0022 0.0022
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0074 0.0287 0.0287
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0013 0.0022 0.0014
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0868 0.3698 0.3678
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0216 0.0894 0.0894
Brugia malayi Melatonin receptor type 1A 0.0013 0.0022 0.0015
Onchocerca volvulus 0.013 0.0525 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0101 0.0402 0.0394
Echinococcus multilocularis g protein coupled receptor 0.0013 0.0022 0.0022
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0013 0.0022 0.0022
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2334 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus granulosus ankyrin repeat and MYND domain containing protein 0.0016 0.0038 0.0038
Schistosoma mansoni neuropeptide receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0216 0.0894 0.0894
Brugia malayi G protein-coupled receptor F59B2.13 0.0013 0.0022 0.0015
Brugia malayi Serotonin receptor 0.0013 0.0022 0.0015
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.004 0.0141 0.0133
Leishmania major hypothetical protein, conserved 0.0016 0.0038 0.0006
Trichomonas vaginalis zinc finger protein MYND domain-containing protein, putative 0.0016 0.0038 0.005
Loa Loa (eye worm) G-protein coupled receptor 0.0013 0.0022 0.0014
Schistosoma mansoni alpha-1 adrenergic receptor 0.0013 0.0022 0.0022
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2334 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0013 0.0022 0.0022
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0161 0.0129
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Brugia malayi ORL1-like opioid receptor 0.0013 0.0022 0.0015
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0244 0.0244
Brugia malayi Protein kinase domain containing protein 0.0107 0.0427 0.042
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0107 0.0427 0.042
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Toxoplasma gondii fructose-bisphospatase II 0.2334 1 1
Brugia malayi GnHR receptor homolog 0.0013 0.0022 0.0015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0115 0.046 0.0453
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Brugia malayi AKH receptor 0.0013 0.0022 0.0015
Echinococcus granulosus neuropeptide FF receptor 2 0.0013 0.0022 0.0022
Echinococcus granulosus Zinc finger MYND type 0.0016 0.0038 0.0038
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0055 0.0205 0.1334
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0015 0.0032 0.0024
Brugia malayi G protein-coupled receptor 0.0013 0.0022 0.0015
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0868 0.3698 0.3678
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Onchocerca volvulus 0.003 0.0098 0.1501
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0038 0.0132 0.0798
Trypanosoma cruzi MYND finger, putative 0.0016 0.0038 0.0006
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0145 0.0896
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0013 0.0022 0.0014
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0115 0.046 0.043
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Echinococcus multilocularis neuropeptides capa receptor 0.0013 0.0022 0.0022
Plasmodium falciparum MYND-type zinc finger protein, putative 0.0016 0.0038 0.0553
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0013 0.0022 0.0022
Echinococcus multilocularis somatostatin receptor 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Toxoplasma gondii histone lysine methyltransferase, SET, putative 0.0017 0.0041 0.0009
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0013 0.0022 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0107 0.0427 0.0427
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0161 0.0161
Brugia malayi hypothetical protein 0.0041 0.0143 0.0136
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0013 0.0022 0.0022
Brugia malayi Tachykinin-like peptides receptor 99D 0.0013 0.0022 0.0015
Schistosoma mansoni hypothetical protein 0.0431 0.1821 0.1821
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Echinococcus granulosus serotonin receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis Zinc finger MYND domain containing protein 12 0.0016 0.0038 0.0038
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0038 0.0132 0.0798
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.0143 0.0143
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0161 1
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0035 0.0118 0.0086
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0013 0.0022 0.0015
Toxoplasma gondii fructose-bisphospatase I 0.0868 0.3698 0.3678
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0038 0.0132 0.0125
Schistosoma mansoni hypothetical protein 0.0016 0.0038 0.0038
Echinococcus granulosus neuropeptide Y receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0013 0.0022 0.0022
Toxoplasma gondii MYND finger domain-containing protein 0.0016 0.0038 0.0006
Echinococcus granulosus g protein coupled receptor 0.0013 0.0022 0.0022
Schistosoma mansoni neuropeptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni biogenic amine receptor 0.0013 0.0022 0.0022
Toxoplasma gondii MYND finger domain-containing protein 0.0016 0.0038 0.0006
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Schistosoma mansoni neuropeptide receptor 0.0013 0.0022 0.0022
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0161 0.1023
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0038 0.0132 0.0132
Schistosoma mansoni cpg binding protein 0.0032 0.0105 0.0105
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0038 0.0132 0.0101
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0013 0.0022 0.0022
Trypanosoma brucei hypothetical protein, conserved 0.0016 0.0038 0.0006
Schistosoma mansoni cpg binding protein 0.003 0.0098 0.0098
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0013 0.0022 0.0022
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0111 0.0446 0.3284
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.015 0.0615 0.5
Brugia malayi follicle stimulating hormone receptor 0.0013 0.0022 0.0015
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0013 0.0022 0.0015
Loa Loa (eye worm) hypothetical protein 0.2274 0.9744 0.9744
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.023 0.0199
Echinococcus granulosus programmed cell death protein 2 0.0016 0.0038 0.0038
Trichomonas vaginalis AGC family protein kinase 0.0107 0.0427 0.3138
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Leishmania major 0.2334 1 1
Brugia malayi hypothetical protein 0.0013 0.0022 0.0015
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Loa Loa (eye worm) hypothetical protein 0.013 0.0525 0.0517
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0868 0.3698 0.3678
Schistosoma mansoni hypothetical protein 0.0016 0.0038 0.0038
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0015 0.0032 0.0024
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0115 0.046 0.043
Trypanosoma cruzi hypothetical protein 0.0016 0.0038 0.0006
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Schistosoma mansoni opsin-like receptor 0.0013 0.0022 0.0022
Brugia malayi Dopamine receptor protein 1 0.0013 0.0022 0.0015
Echinococcus multilocularis neuropeptide receptor A26 0.0013 0.0022 0.0022
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0107 0.0427 0.0427
Brugia malayi Serotonin receptor 0.0013 0.0022 0.0015
Loa Loa (eye worm) MYND finger family protein 0.0016 0.0038 0.003
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0013 0.0022 0.0022
Echinococcus multilocularis neuropeptide Y receptor 0.0013 0.0022 0.0022
Trypanosoma cruzi MYND finger, putative 0.0016 0.0038 0.0006
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0013 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0013 0.0022 0.0014
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0079 0.0306 0.2175
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0308 0.1292 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0013 0.0022 0.0022
Echinococcus multilocularis orexin receptor type 2 0.0013 0.0022 0.0022
Echinococcus multilocularis neuropeptide receptor 0.0013 0.0022 0.0022
Schistosoma mansoni neuropeptide f receptor 76f 0.0013 0.0022 0.0022
Echinococcus granulosus tachykinin peptides receptor 99D 0.0013 0.0022 0.0022
Echinococcus granulosus 7tm_1 domain containing protein 0.0013 0.0022 0.0022
Echinococcus multilocularis serotonin receptor 0.0013 0.0022 0.0022
Echinococcus granulosus G protein coupled receptor 139 0.0013 0.0022 0.0022

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 3553 nM.h Area under curve of the compound after oral administration to rats in 20% hydroxypropyl-alpha-cyclodextrin after 4 hours ChEMBL. 16161991
Cmax (ADMET) = 1516 nM Maximum plasma concentration of the compound after oral administration to rats in 20% hydroxypropyl-alpha-cyclodextrin after 4 hours ChEMBL. 16161991
IC50 (binding) = 35 nM In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand ChEMBL. 16161991
IC50 (binding) = 35 nM In vitro inhibitory concentration aganist human protease activated receptor 1 using [3H]-haTRAP as radioligand ChEMBL. 16161991

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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