Detailed information for compound 434474

Basic information

Technical information
  • TDR Targets ID: 434474
  • Name: (1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-[5- [3-(trifluoromethyl)phenyl]pyridin-2-yl]ethen yl]-1,3a,4,4a,5,7,8,8a,9,9a-decahydrofuro[3,4 -g]isochromen-3-one
  • MW: 457.485 | Formula: C26H26F3NO3
  • H donors: 0 H acceptors: 2 LogP: 5.05 Rotable bonds: 4
    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)C(F)(F)F)[C@H]1[C@H](C2)COCC1
  • InChi: 1S/C26H26F3NO3/c1-15-24-22(21-9-10-32-14-18(21)12-23(24)25(31)33-15)8-7-20-6-5-17(13-30-20)16-3-2-4-19(11-16)26(27,28)29/h2-8,11,13,15,18,21-24H,9-10,12,14H2,1H3/b8-7+/t15-,18-,21-,22+,23-,24+/m1/s1
  • InChiKey: MCIFBFQHUSJYNA-RRVPNGAVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridyl]vinyl]-1,3a,4,4a,5,7,8,8a,9,9a-decahydrofuro[3,4-g]isochromen-3-one
  • (1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridyl]vinyl]-1,3a,4,4a,5,7,8,8a,9,9a-decahydrofuro[3,4-g][2]benzopyran-3-one
  • (1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-[5-[3-(trifluoromethyl)phenyl]pyridin-2-yl]ethenyl]-1,3a,4,4a,5,7,8,8a,9,9a-decahydrofuro[4,3-g]isochromen-3-one
  • (1R,3aR,4aS,8aS,9S,9aS)-1-methyl-9-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridyl]vinyl]-1,3a,4,4a,5,7,8,8a,9,9a-decahydrofuro[4,3-g]isochromen-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
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0066 0.0144 0.0143
Echinococcus granulosus sex peptide receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Toxoplasma gondii histone deacetylase HDAC5 0.0206 0.0703 0.4298
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0078 0.019 0.0931
Echinococcus granulosus 7TM GPCR rhodopsin 0.0078 0.019 0.0931
Echinococcus granulosus peptide allatostatin:somatostatin 0.0078 0.019 0.0931
Schistosoma mansoni neuropeptide receptor 0.0078 0.019 0.1127
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0078 0.019 0.0772
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Onchocerca volvulus Neuropeptide F receptor homolog 0.0078 0.019 0.2698
Trypanosoma cruzi histone deacetylase 1, putative 0.0426 0.1589 0.9515
Echinococcus multilocularis somatostatin receptor 0.0078 0.019 0.0931
Schistosoma mansoni neuropeptide receptor 0.0078 0.019 0.1127
Mycobacterium tuberculosis Probable dehydrogenase 0.0066 0.0144 0.0143
Schistosoma mansoni amine GPCR 0.0078 0.019 0.1127
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0078 0.0191 0.0936
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis neuropeptide s receptor 0.0078 0.019 0.0931
Brugia malayi G protein-coupled receptor 0.0078 0.019 0.116
Schistosoma mansoni histamine h1 receptor 0.0078 0.019 0.1127
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 0.019 0.0931
Trypanosoma cruzi histone deacetylase, putative 0.0438 0.1634 1
Onchocerca volvulus 0.0078 0.019 0.2698
Schistosoma mansoni opsin-like receptor 0.0078 0.019 0.1127
Schistosoma mansoni alpha-1 adrenergic receptor 0.0078 0.019 0.1127
Echinococcus granulosus hypothetical protein 0.0078 0.019 0.0931
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.019 0.0772
Echinococcus multilocularis histone deacetylase 6 0.0438 0.1634 0.8068
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0074 0.0173 0.003
Onchocerca volvulus Matrix metalloproteinase homolog 0.0048 0.0069 0.0978
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.019 0.1127
Plasmodium vivax histone deacetylase 1, putative 0.0426 0.1589 0.9515
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.019 0.1127
Echinococcus granulosus neuropeptide receptor A26 0.0078 0.019 0.0931
Mycobacterium tuberculosis Probable oxidoreductase 0.0074 0.0173 0.0172
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0078 0.019 0.1127
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0066 0.0144 0.0143
Brugia malayi RE15519p 0.0078 0.019 0.116
Brugia malayi histone deacetylase 11 0.0206 0.0703 0.4302
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Plasmodium vivax histone deacetylase, putative 0.0438 0.1634 1
Mycobacterium tuberculosis Probable reductase 0.0066 0.0144 0.0143
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0078 0.019 0.1127
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0078 0.019 0.0931
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0066 0.0144 0.0143
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 0.019 0.0931
Trypanosoma brucei histone deacetylase 4 0.0438 0.1634 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0078 0.019 0.116
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Brugia malayi AKH receptor 0.0078 0.019 0.116
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0078 0.019 0.116
Onchocerca volvulus 0.0078 0.019 0.2698
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Leishmania major histone deacetylase, putative 0.0426 0.1589 0.9723
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis neuropeptides capa receptor 0.0078 0.019 0.0931
Echinococcus multilocularis histone deacetylase 1 0.0426 0.1589 0.7844
Onchocerca volvulus 0.0078 0.019 0.2698
Echinococcus multilocularis histone deacetylase 6 0.045 0.1682 0.8305
Echinococcus multilocularis G protein coupled receptor 139 0.0078 0.019 0.0931
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.1725 0.6797 0.6797
Brugia malayi Histone deacetylase family protein 0.0438 0.1634 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0078 0.019 0.0931
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Trypanosoma cruzi histone deacetylase 1, putative 0.0426 0.1589 0.9515
Onchocerca volvulus Matrilysin homolog 0.0048 0.0069 0.0978
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis histone deacetylase 3 0.0426 0.1589 0.7844
Schistosoma mansoni myosin xvIII 0.0078 0.019 0.1127
Echinococcus granulosus neuropeptide receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Brugia malayi Histone deacetylase family protein 0.0438 0.1634 1
Onchocerca volvulus 0.0078 0.019 0.2698
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Echinococcus multilocularis histone deacetylase 7 0.0438 0.1634 0.8068
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Brugia malayi Dopamine receptor protein 2 0.0078 0.019 0.116
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Toxoplasma gondii histone deacetylase HDAC3 0.0426 0.1589 0.9723
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0535 0.2025 1
Schistosoma mansoni aldehyde dehydrogenase 0.0031 0.0001 0.0006
Toxoplasma gondii histone deacetylase HDAC2 0.0426 0.1589 0.9723
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Brugia malayi follicle stimulating hormone receptor 0.0261 0.0925 0.5659
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0078 0.019 0.1127
Brugia malayi Serotonin receptor 0.0078 0.019 0.116
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0078 0.019 0.0931
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Echinococcus multilocularis fmrfamide receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.019 0.0772
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Echinococcus multilocularis sex peptide receptor 0.0078 0.019 0.0931
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Echinococcus multilocularis neuropeptide receptor 0.0078 0.019 0.0931
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0078 0.019 0.0931
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.1725 0.6797 0.6797
Echinococcus granulosus 7tm_1 domain containing protein 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus fmrfamide receptor 0.0078 0.019 0.0931
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0078 0.019 0.0931
Brugia malayi putative neuropeptide receptor 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) matrixin family protein 0.0052 0.0086 0.011
Loa Loa (eye worm) histone deacetylase 11 0.0206 0.0703 0.4051
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni amine GPCR 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni adenoreceptor 0.0078 0.019 0.1127
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0078 0.019 0.0931
Trypanosoma brucei histone deacetylase 1 0.0426 0.1589 0.9515
Brugia malayi histone deacetylase 1 (HD1) 0.0426 0.1589 0.9724
Echinococcus granulosus biogenic amine 5HT receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0232 0.0809 0.4731
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni growth hormone secretagogue receptor 0.0078 0.019 0.1127
Leishmania major histone deacetylase, putative 0.0426 0.1589 0.9723
Mycobacterium tuberculosis Malate synthase G GlcB 0.2523 1 1
Echinococcus multilocularis neuropeptide receptor 0.0078 0.019 0.0931
Schistosoma mansoni hypothetical protein 0.0135 0.042 0.2495
Echinococcus granulosus histone deacetylase 7 0.0438 0.1634 0.8068
Schistosoma mansoni biogenic amine receptor 0.0078 0.019 0.1127
Echinococcus multilocularis histone deacetylase 8 0.0206 0.0703 0.3467
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0074 0.0173 0.0172
Echinococcus granulosus neuropeptide Y receptor 0.0078 0.019 0.0931
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0078 0.019 0.0931
Echinococcus multilocularis g protein coupled receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0426 0.1589 0.5
Loa Loa (eye worm) hypothetical protein 0.0426 0.1589 0.9711
Schistosoma mansoni hypothetical protein 0.0078 0.019 0.1127
Schistosoma mansoni neuropeptide f receptor 76f 0.0078 0.019 0.1127
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0078 0.019 0.116
Echinococcus multilocularis neuropeptide receptor A26 0.0078 0.019 0.0931
Brugia malayi Tachykinin-like peptides receptor 99D 0.0078 0.019 0.116
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0078 0.019 0.0931
Schistosoma mansoni hypothetical protein 0.0078 0.019 0.1127
Echinococcus granulosus neuropeptide receptor 0.0078 0.019 0.0931
Toxoplasma gondii histone deacetylase HDAC1 0.0438 0.1634 1
Schistosoma mansoni biogenic amine receptor 0.0078 0.019 0.1127
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0074 0.0173 0.0172
Schistosoma mansoni amine GPCR 0.0078 0.019 0.1127
Brugia malayi Histone deacetylase 1 0.0426 0.1589 0.9724
Trypanosoma cruzi histone deacetylase, putative 0.0438 0.1634 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Plasmodium vivax histone deacetylase 2, putative 0.0438 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis g protein coupled receptor 0.0078 0.019 0.0931
Echinococcus granulosus histone deacetylase 6 0.045 0.1682 0.8305
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis fmrfamide receptor 0.0078 0.019 0.0931
Leishmania major histone deacetylase, putative 0.0438 0.1634 1
Brugia malayi Melatonin receptor type 1A 0.0078 0.019 0.116
Schistosoma mansoni opsin-like receptor 0.0078 0.019 0.1127
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0078 0.019 0.0931
Loa Loa (eye worm) histone deacetylase 0.0438 0.1634 1
Brugia malayi G-protein coupled receptor 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis allatostatin A receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0426 0.1589 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0426 0.1589 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0078 0.019 0.0931
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus alpha 1A adrenergic receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0078 0.019 0.1127
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.019 0.1127
Echinococcus granulosus rhodopsin orphan GPCR 0.0078 0.019 0.0931
Echinococcus granulosus allatostatin A receptor 0.0078 0.019 0.0931
Trypanosoma brucei histone deacetylase, putative 0.0438 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) melatonin receptor type 1A 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Plasmodium falciparum histone deacetylase, putative 0.0438 0.1634 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0078 0.019 0.0931
Echinococcus granulosus tachykinin peptides receptor 99D 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0078 0.019 0.0931
Brugia malayi neuropeptide F receptor 0.0078 0.019 0.116
Mycobacterium ulcerans malate synthase G 0.2523 1 1
Schistosoma mansoni neuropeptide receptor 0.0078 0.019 0.1127
Schistosoma mansoni biogenic amine receptor 0.0078 0.019 0.1127
Brugia malayi Serotonin receptor 0.0078 0.019 0.116
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Trypanosoma cruzi histone deacetylase, putative 0.0438 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus tm gpcr rhodopsin 0.0078 0.019 0.0931
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0078 0.019 0.0772
Echinococcus granulosus neuropeptides capa receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0078 0.019 0.116
Echinococcus granulosus serotonin receptor 0.0078 0.019 0.0931
Echinococcus multilocularis neuropeptide Y receptor 0.0078 0.019 0.0931
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni histone deacetylase hda2 0.045 0.1682 1
Schistosoma mansoni amine GPCR 0.0078 0.019 0.1127
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Loa Loa (eye worm) histone deacetylase 3 0.0426 0.1589 0.9711
Echinococcus multilocularis orexin receptor type 2 0.0078 0.019 0.0931
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0078 0.019 0.0931
Mycobacterium ulcerans isocitrate lyase Icl 0.1725 0.6797 0.6797
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0375 0.1383 0.8395
Echinococcus granulosus histone deacetylase 6 0.0438 0.1634 0.8068
Onchocerca volvulus 0.0078 0.019 0.2698
Schistosoma mansoni amine GPCR 0.0078 0.019 0.1127
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0535 0.2025 1
Echinococcus multilocularis histone deacetylase 6 0.0438 0.1634 0.8068
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0078 0.019 0.0931
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0261 0.0925 0.5468
Onchocerca volvulus 0.0078 0.019 0.2698
Brugia malayi sulfakinin receptor protein 0.0078 0.019 0.116
Echinococcus multilocularis neuropeptides capa receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0078 0.019 0.1127
Schistosoma mansoni hypothetical protein 0.0135 0.042 0.2495
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus neuropeptide Y receptor 0.0078 0.019 0.0931
Schistosoma mansoni histone deacetylase hda2 0.0206 0.0703 0.4179
Onchocerca volvulus Histone deacetylase 10 homolog 0.0206 0.0703 1
Brugia malayi Dopamine receptor 0.0078 0.019 0.116
Giardia lamblia Histone deacetylase 0.0426 0.1589 0.5
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) G-protein coupled receptor 0.0078 0.019 0.0772
Plasmodium falciparum histone deacetylase 2 0.0438 0.1634 1
Echinococcus granulosus G protein coupled receptor 139 0.0078 0.019 0.0931
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0078 0.0191 0.0936
Schistosoma mansoni hypothetical protein 0.0078 0.019 0.1127
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus histone deacetylase 0.0438 0.1634 0.8068
Trypanosoma brucei histone deacetylase 3 0.0438 0.1634 1
Echinococcus granulosus g-protein coupled receptor 0.0078 0.019 0.0931
Brugia malayi larval opioid receptor 0.0078 0.019 0.116
Schistosoma mansoni histone deacetylase 1 2 3 0.0206 0.0703 0.4179
Echinococcus granulosus g protein coupled receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis g protein coupled receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0078 0.019 0.0772
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.1725 0.6797 0.6751
Schistosoma mansoni hypothetical protein 0.0078 0.019 0.1127
Onchocerca volvulus 0.0078 0.019 0.2698
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus multilocularis serotonin receptor 0.0078 0.019 0.0931
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0078 0.019 0.2698
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0078 0.019 0.0931
Echinococcus granulosus orexin receptor type 2 0.0078 0.019 0.0931
Echinococcus granulosus g protein coupled receptor 0.0078 0.019 0.0931
Echinococcus granulosus geminin 0.0135 0.042 0.2068
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0078 0.019 0.1127
Mycobacterium ulcerans isocitrate lyase AceAb 0.1725 0.6797 0.6797
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0078 0.019 0.1127
Echinococcus granulosus histone deacetylase 8 0.0206 0.0703 0.3467
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0078 0.019 0.116
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Echinococcus granulosus histone deacetylase 1 0.0426 0.1589 0.7844
Brugia malayi putative neuropeptide receptor NPR1 0.0078 0.019 0.116
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Brugia malayi ORL1-like opioid receptor 0.0078 0.019 0.116
Loa Loa (eye worm) histone deacetylase 7A 0.0438 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni opsin-like receptor 0.0078 0.019 0.1127
Schistosoma mansoni aldehyde dehydrogenase 0.0031 0.0001 0.0006
Schistosoma mansoni biogenic amine (5HT) receptor 0.0078 0.019 0.1127
Echinococcus granulosus histone deacetylase 3 0.0426 0.1589 0.7844
Echinococcus granulosus biogenic amine 5HT receptor 0.0078 0.019 0.0931
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Echinococcus granulosus somatostatin receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Onchocerca volvulus 0.0078 0.019 0.2698
Brugia malayi histone deacetylase 3 (HD3) 0.0426 0.1589 0.9724
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0078 0.019 0.1127
Onchocerca volvulus 0.0078 0.019 0.2698
Loa Loa (eye worm) hypothetical protein 0.0244 0.0858 0.5038
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Toxoplasma gondii histone deacetylase HDAC4 0.0206 0.0703 0.4298
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Echinococcus multilocularis serotonin receptor 0.0078 0.019 0.0931
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Echinococcus granulosus histone deacetylase 6 0.0438 0.1634 0.8068
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0078 0.019 0.0931
Schistosoma mansoni neuropeptide F-like receptor 0.0078 0.019 0.1127
Leishmania major histone deacetylase, putative 0.0438 0.1634 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Echinococcus granulosus neuropeptide FF receptor 2 0.0078 0.019 0.0931
Echinococcus multilocularis dro:myosuppressin receptor 0.0078 0.019 0.0931
Echinococcus granulosus g protein coupled receptor 0.0078 0.019 0.0931
Echinococcus granulosus dro:myosuppressin receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0078 0.019 0.0931
Loa Loa (eye worm) histone deacetylase 1 0.0426 0.1589 0.9711
Trichomonas vaginalis histone deacetylase, putative 0.0426 0.1589 0.5
Brugia malayi GnHR receptor homolog 0.0078 0.019 0.116
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.1725 0.6797 0.6797
Schistosoma mansoni histone deacetylase 4 5 0.0438 0.1634 0.9714
Onchocerca volvulus 0.0078 0.019 0.2698
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Brugia malayi neuropeptide F receptor 0.0078 0.019 0.116
Echinococcus multilocularis geminin 0.0135 0.042 0.2068
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0078 0.019 0.1127
Echinococcus multilocularis g-protein coupled receptor 0.0078 0.019 0.0931
Echinococcus multilocularis neuropeptide FF receptor 2 0.0078 0.019 0.0931
Echinococcus multilocularis rhodopsin orphan GPCR 0.0078 0.019 0.0931
Loa Loa (eye worm) TYRA-2 protein 0.0078 0.019 0.0772
Echinococcus multilocularis histone deacetylase 0.0438 0.1634 0.8068
Brugia malayi Matrixin family protein 0.0052 0.0086 0.0526
Schistosoma mansoni histone deacetylase 0.0426 0.1589 0.9446
Schistosoma mansoni neuropeptide receptor 0.0078 0.019 0.1127
Echinococcus multilocularis neuropeptide Y receptor 0.0078 0.019 0.0931
Schistosoma mansoni histone deacetylase 0.0426 0.1589 0.9446
Loa Loa (eye worm) hypothetical protein 0.0078 0.019 0.0772
Brugia malayi G-protein coupled receptor 0.0078 0.019 0.116
Echinococcus granulosus neuropeptides capa receptor 0.0078 0.019 0.0931
Onchocerca volvulus 0.0078 0.019 0.2698
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0078 0.019 0.0931
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0066 0.0144 0.0143
Brugia malayi hypothetical protein 0.0078 0.019 0.116
Schistosoma mansoni histone deacetylase 4 5 0.0438 0.1634 0.9714
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0078 0.019 0.1127
Entamoeba histolytica histone deacetylase, putative 0.0426 0.1589 0.5
Mycobacterium leprae Isocitrate lyase 0.0808 0.3121 0.3021
Brugia malayi Dopamine receptor protein 1 0.0375 0.1383 0.8463
Loa Loa (eye worm) neuropeptide F receptor 0.0078 0.019 0.0772
Brugia malayi G protein-coupled receptor F59B2.13 0.0078 0.019 0.116
Echinococcus granulosus neuropeptide s receptor 0.0078 0.019 0.0931
Loa Loa (eye worm) hypothetical protein 0.0206 0.0703 0.4051
Onchocerca volvulus 0.0078 0.019 0.2698

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 545 ng.hr/ml AUC (0 to 6 hrs) in rat at 10 mg/kg, po ChEMBL. 17854166
IC50 (binding) = 17 nM Displacement of [3H]haTRAP from PAR1 in human platelet membrane ChEMBL. 17854166
IC50 (binding) = 17 nM Displacement of [3H]haTRAP from PAR1 in human platelet membrane ChEMBL. 17854166

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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