Detailed information for compound 451097

Basic information

Technical information
  • TDR Targets ID: 451097
  • Name: (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[( 3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N -[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide
  • MW: 546.166 | Formula: C17H23Cl6N3O2S
  • H donors: 1 H acceptors: 3 LogP: 5.65 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C([C@@H](N(C(=O)C[C@@H](C(Cl)(Cl)Cl)C)C)C[C@@H](C(Cl)(Cl)Cl)C)N[C@H](c1nccs1)C
  • InChi: 1S/C17H23Cl6N3O2S/c1-9(16(18,19)20)7-12(14(28)25-11(3)15-24-5-6-29-15)26(4)13(27)8-10(2)17(21,22)23/h5-6,9-12H,7-8H2,1-4H3,(H,25,28)/t9-,10-,11-,12-/m0/s1
  • InChiKey: BFVRAKVNXYQMID-BJDJZHNGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methyl-butanoyl]amino]-N-[(1S)-1-thiazol-2-ylethyl]pentanamide
  • (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methyl-1-oxobutyl]amino]-N-[(1S)-1-(2-thiazolyl)ethyl]pentanamide
  • (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methyl-butanoyl]amino]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pentanamide
  • (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methyl-butanoyl]amino]-N-[(1S)-1-thiazol-2-ylethyl]valeramide
  • dysidenin

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL References
Homo sapiens arachidonate 15-lipoxygenase 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.8405 0.8405
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.01 0.1145 0.1363
Schistosoma mansoni neuropeptide f receptor 76f 0.0043 0.0416 0.0495
Echinococcus granulosus hypothetical protein 0.0043 0.0416 0.0495
Schistosoma mansoni biogenic amine receptor 0.0043 0.0416 0.0495
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0043 0.0416 0.1113
Brugia malayi G protein-coupled receptor F59B2.13 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi hypothetical protein 0.0048 0.0479 0.1281
Brugia malayi Doublecortin family protein 0.0048 0.0479 0.1281
Loa Loa (eye worm) hypothetical protein 0.0064 0.0687 0.1838
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0318 0.0318
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0311 0.0311
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0043 0.0416 0.0495
Schistosoma mansoni hypothetical protein 0.0043 0.0416 0.0495
Echinococcus multilocularis muscleblind protein 1 0.0296 0.366 0.366
Echinococcus multilocularis G protein coupled receptor 139 0.0043 0.0416 0.0416
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Echinococcus granulosus fmrfamide receptor 0.0043 0.0416 0.0495
Echinococcus granulosus somatostatin receptor 0.0043 0.0416 0.0495
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0043 0.0416 0.0495
Schistosoma mansoni neuropeptide F-like receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0296 0.366 0.9795
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0345 0.0099
Brugia malayi Serotonin receptor 0.0043 0.0416 0.1113
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0043 0.0416 0.0495
Trichomonas vaginalis protein kinase inhibitor, putative 0.0062 0.0658 0.1029
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0479 0.0569
Schistosoma mansoni inositol monophosphatase 0.0037 0.0345 0.041
Brugia malayi G protein-coupled receptor 0.0043 0.0416 0.1113
Plasmodium vivax multidomain scavenger receptor, putative 0.0048 0.0479 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Echinococcus multilocularis neuropeptides capa receptor 0.0043 0.0416 0.0416
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0416 0.0495
Brugia malayi putative neuropeptide receptor 0.0043 0.0416 0.1113
Echinococcus multilocularis dnaJ subfamily C 6 0.0062 0.0658 0.0658
Echinococcus multilocularis neuropeptide receptor 0.0043 0.0416 0.0416
Echinococcus granulosus neuropeptide receptor 0.0043 0.0416 0.0495
Giardia lamblia Cathepsin B precursor 0.01 0.1145 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0043 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0043 0.0416 0.0416
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.01 0.1145 0.2436
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0043 0.0416 0.0495
Brugia malayi Dopamine receptor protein 2 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0497 0.0591
Schistosoma mansoni growth hormone secretagogue receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) glutaminase 2 0.0275 0.3391 0.9076
Brugia malayi larval opioid receptor 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0048 0.0479 0.1281
Echinococcus multilocularis neuropeptide FF receptor 2 0.0043 0.0416 0.0416
Echinococcus granulosus dro:myosuppressin receptor 0.0043 0.0416 0.0495
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0295 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0043 0.0416 0.0416
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Brugia malayi G-protein coupled receptor 0.0043 0.0416 0.1113
Echinococcus granulosus neuropeptide Y receptor 0.0043 0.0416 0.0495
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0043 0.0416 0.0495
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0043 0.0416 0.0495
Schistosoma mansoni inositol monophosphatase 0.0037 0.0345 0.041
Echinococcus granulosus g-protein coupled receptor 0.0043 0.0416 0.0495
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0043 0.0416 0.0416
Onchocerca volvulus 0.0048 0.0479 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Echinococcus granulosus Polycystic kidney disease protein 0.0048 0.0479 0.0569
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0043 0.0416 0.1113
Schistosoma mansoni biogenic amine receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0043 0.0416 0.0416
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0043 0.0416 0.0416
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus cathepsin b 0.0302 0.3737 0.4446
Loa Loa (eye worm) cathepsin B 0.01 0.1145 0.3065
Brugia malayi hypothetical protein 0.0035 0.0318 0.0852
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Giardia lamblia Cathepsin B precursor 0.01 0.1145 1
Schistosoma mansoni opsin-like receptor 0.0043 0.0416 0.0495
Schistosoma mansoni amine GPCR 0.0043 0.0416 0.0495
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0043 0.0416 0.1113
Schistosoma mansoni loxhd1 0.0048 0.0479 0.0569
Brugia malayi neuropeptide F receptor 0.0043 0.0416 0.1113
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0345 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0345 0.0406
Schistosoma mansoni rab6-interacting 0.0048 0.0479 0.0569
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0345 0.041
Brugia malayi G-protein coupled receptor 0.0043 0.0416 0.1113
Echinococcus multilocularis muscleblind protein 0.0296 0.366 0.366
Schistosoma mansoni lipoxygenase 0.0048 0.0479 0.0569
Brugia malayi Dopamine receptor protein 1 0.0043 0.0416 0.1113
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0043 0.0416 0.0416
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0302 0.3737 0.4446
Loa Loa (eye worm) doublecortin family protein 0.0048 0.0479 0.1281
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus neuropeptides capa receptor 0.0043 0.0416 0.0495
Echinococcus granulosus g protein coupled receptor 0.0043 0.0416 0.0495
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0043 0.0416 0.1113
Echinococcus multilocularis serotonin receptor 0.0043 0.0416 0.0416
Echinococcus granulosus G protein coupled receptor 139 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni neuropeptide receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0497 0.0497
Schistosoma mansoni amine GPCR 0.0043 0.0416 0.0495
Echinococcus granulosus neuropeptide s receptor 0.0043 0.0416 0.0495
Schistosoma mansoni polycystin 1-related 0.0048 0.0479 0.0569
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus neuropeptide receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni biogenic amine receptor 0.0043 0.0416 0.0495
Brugia malayi DnaJ domain containing protein 0.0062 0.0658 0.1761
Loa Loa (eye worm) hypothetical protein 0.0296 0.366 0.9795
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0302 0.3737 0.4446
Schistosoma mansoni hypothetical protein 0.0035 0.0318 0.0379
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni hypothetical protein 0.0062 0.0658 0.0783
Echinococcus multilocularis serotonin receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis G-protein coupled receptor, putative 0.0043 0.0416 0.0416
Echinococcus multilocularis dro:myosuppressin receptor 0.0043 0.0416 0.0416
Loa Loa (eye worm) neuropeptide F receptor 0.0043 0.0416 0.1113
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus sex peptide receptor 0.0043 0.0416 0.0495
Trichomonas vaginalis glutaminase, putative 0.0275 0.3391 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0302 0.3737 0.4446
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0043 0.0416 0.0495
Brugia malayi Inositol-1 0.0037 0.0345 0.0923
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0497 0.0591
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0043 0.0416 0.0495
Echinococcus granulosus 7TM GPCR rhodopsin 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus neuropeptide FF receptor 2 0.0043 0.0416 0.0495
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Echinococcus multilocularis neuropeptide Y receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0479 0.0479
Loa Loa (eye worm) inositol-1 0.0037 0.0345 0.0923
Schistosoma mansoni adenoreceptor 0.0043 0.0416 0.0495
Brugia malayi Augmenter of liver regeneration 0.0035 0.0311 0.0832
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni neuropeptide F-like receptor 0.0043 0.0416 0.0495
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.01 0.1145 1
Brugia malayi Melatonin receptor type 1A 0.0043 0.0416 0.1113
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0345 0.5
Echinococcus granulosus RUN 0.0048 0.0479 0.0569
Brugia malayi GnHR receptor homolog 0.0043 0.0416 0.1113
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0043 0.0416 0.0495
Loa Loa (eye worm) G-protein coupled receptor 0.0043 0.0416 0.1113
Loa Loa (eye worm) glutaminase 0.0275 0.3391 0.9076
Echinococcus multilocularis Polycystic kidney disease protein 0.0048 0.0479 0.0479
Brugia malayi neuropeptide F receptor 0.0043 0.0416 0.1113
Echinococcus granulosus alpha 1A adrenergic receptor 0.0043 0.0416 0.0495
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0133 0.1576 0.1875
Echinococcus granulosus g protein coupled receptor 0.0043 0.0416 0.0495
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0302 0.3737 0.4446
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0043 0.0416 0.1113
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0043 0.0416 0.1113
Echinococcus granulosus serotonin receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi hypothetical protein 0.0048 0.0479 0.1281
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0043 0.0416 0.1113
Brugia malayi follicle stimulating hormone receptor 0.0043 0.0416 0.1113
Schistosoma mansoni hypothetical protein 0.0043 0.0416 0.0495
Echinococcus multilocularis Rac GTPase activating protein 1 0.0074 0.0816 0.0816
Schistosoma mansoni amine GPCR 0.0043 0.0416 0.0495
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0043 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis sex peptide receptor 0.0043 0.0416 0.0416
Brugia malayi glutaminase DH11.1 0.0275 0.3391 0.9076
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0048 0.0479 0.1281
Toxoplasma gondii cathepsin B 0.01 0.1145 1
Echinococcus multilocularis cathepsin b 0.0302 0.3737 0.3737
Schistosoma mansoni glutaminase 0.0275 0.3391 0.4035
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) melatonin receptor type 1A 0.0043 0.0416 0.1113
Plasmodium falciparum LCCL domain-containing protein 0.0048 0.0479 1
Echinococcus granulosus neuropeptides capa receptor 0.0043 0.0416 0.0495
Schistosoma mansoni neuropeptide receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0345 0.0345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0497 0.0497
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Schistosoma mansoni amine GPCR 0.0043 0.0416 0.0495
Brugia malayi Tachykinin-like peptides receptor 99D 0.0043 0.0416 0.1113
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0302 0.3737 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi RhoGAP domain containing protein 0.0064 0.0687 0.1838
Trypanosoma brucei cysteine peptidase C (CPC) 0.01 0.1145 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0043 0.0416 0.0416
Echinococcus multilocularis lipoxygenase domain containing protein 0.0048 0.0479 0.0479
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0043 0.0416 0.1113
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni histamine h1 receptor 0.0043 0.0416 0.0495
Brugia malayi AKH receptor 0.0043 0.0416 0.1113
Echinococcus granulosus g protein coupled receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0345 0.0406
Onchocerca volvulus 0.0048 0.0479 1
Schistosoma mansoni hypothetical protein 0.0043 0.0416 0.0495
Echinococcus granulosus 7tm_1 domain containing protein 0.0043 0.0416 0.0495
Brugia malayi Muscleblind-like protein 0.0296 0.366 0.9795
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni alpha-1 adrenergic receptor 0.0043 0.0416 0.0495
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0318 0.0379
Schistosoma mansoni hypothetical protein 0.0043 0.0416 0.0495
Schistosoma mansoni lipoxygenase 0.0133 0.1576 0.1875
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0043 0.0416 0.0416
Echinococcus multilocularis fmrfamide receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0416 0.0416
Brugia malayi putative neuropeptide receptor NPR1 0.0043 0.0416 0.1113
Brugia malayi Serotonin receptor 0.0043 0.0416 0.1113
Loa Loa (eye worm) DnaJ domain-containing protein 0.0062 0.0658 0.1761
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus lipoxygenase domain containing protein 0.0048 0.0479 0.0569
Giardia lamblia Cathepsin B precursor 0.01 0.1145 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0043 0.0416 0.0416
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0311 0.0832
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0345 0.0099
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Echinococcus multilocularis cathepsin b 0.0302 0.3737 0.3737
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni rab6-interacting 0.0048 0.0479 0.0569
Echinococcus granulosus neuropeptide receptor A26 0.0043 0.0416 0.0495
Loa Loa (eye worm) G-protein coupled receptor 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni myosin xvIII 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni hypothetical protein 0.0048 0.0479 0.0569
Echinococcus granulosus dnaJ subfamily C 6 0.0062 0.0658 0.0783
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi Dopamine receptor 0.0043 0.0416 0.1113
Echinococcus multilocularis RUN 0.0048 0.0479 0.0479
Echinococcus granulosus microtubule associated protein 2 0.0667 0.8405 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni rac gtpase activating protein 0.0074 0.0816 0.0971
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0345 0.0406
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0043 0.0416 0.0495
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0295 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Echinococcus granulosus cathepsin b 0.0302 0.3737 0.4446
Echinococcus multilocularis g-protein coupled receptor 0.0043 0.0416 0.0416
Loa Loa (eye worm) neuropeptide F receptor 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus Rac GTPase activating protein 1 0.0074 0.0816 0.0971
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0074 0.0816 0.2185
Echinococcus granulosus muscleblind protein 0.0296 0.366 0.4354
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Schistosoma mansoni biogenic amine (5HT) receptor 0.0043 0.0416 0.0495
Loa Loa (eye worm) TYRA-2 protein 0.0043 0.0416 0.1113
Echinococcus multilocularis orexin receptor type 2 0.0043 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0497 0.133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0497 0.0591
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus multilocularis neuropeptides capa receptor 0.0043 0.0416 0.0416
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0043 0.0416 0.0495
Schistosoma mansoni neuropeptide receptor 0.0043 0.0416 0.0495
Brugia malayi RhoGAP domain containing protein 0.0074 0.0816 0.2185
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0302 0.3737 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0043 0.0416 0.0495
Brugia malayi ORL1-like opioid receptor 0.0043 0.0416 0.1113
Echinococcus granulosus tm gpcr rhodopsin 0.0043 0.0416 0.0495
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis allatostatin A receptor 0.0043 0.0416 0.0416
Echinococcus granulosus tm gpcr rhodopsin 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.8405 1
Echinococcus granulosus tm gpcr rhodopsin 0.0043 0.0416 0.0495
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0133 0.1576 0.1576
Brugia malayi cathepsin B-like cysteine proteinase 0.0302 0.3737 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0043 0.0416 0.0495
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0043 0.0416 0.0416
Echinococcus multilocularis neuropeptide receptor A26 0.0043 0.0416 0.0416
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0497 0.0591
Echinococcus multilocularis somatostatin receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0416 0.0416
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0043 0.0416 0.0416
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis neuropeptide Y receptor 0.0043 0.0416 0.0416
Echinococcus granulosus biogenic amine 5HT receptor 0.0043 0.0416 0.0495
Schistosoma mansoni opsin-like receptor 0.0043 0.0416 0.0495
Mycobacterium ulcerans glutaminase 0.0275 0.3391 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Echinococcus granulosus allatostatin A receptor 0.0043 0.0416 0.0495
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0318 0.0379
Echinococcus granulosus neuropeptide Y receptor 0.0043 0.0416 0.0495
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Brugia malayi RE15519p 0.0043 0.0416 0.1113
Echinococcus multilocularis neuropeptide s receptor 0.0043 0.0416 0.0416
Schistosoma mansoni biogenic amine (5HT) receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis neuropeptide receptor 0.0043 0.0416 0.0416
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.01 0.1145 0.2627
Echinococcus granulosus orexin receptor type 2 0.0043 0.0416 0.0495
Echinococcus granulosus rhodopsin orphan GPCR 0.0043 0.0416 0.0495
Brugia malayi hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0497 0.0591
Echinococcus multilocularis g protein coupled receptor 0.0043 0.0416 0.0416
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0497 0.133
Echinococcus multilocularis fmrfamide receptor 0.0043 0.0416 0.0416
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0311 0.037
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0043 0.0416 0.0495
Schistosoma mansoni amine GPCR 0.0043 0.0416 0.0495
Loa Loa (eye worm) hypothetical protein 0.0043 0.0416 0.1113
Schistosoma mansoni opsin-like receptor 0.0043 0.0416 0.0495
Echinococcus multilocularis rhodopsin orphan GPCR 0.0043 0.0416 0.0416
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0043 0.0416 0.0495
Echinococcus granulosus peptide allatostatin:somatostatin 0.0043 0.0416 0.0495
Schistosoma mansoni neuropeptide receptor 0.0043 0.0416 0.0495
Brugia malayi sulfakinin receptor protein 0.0043 0.0416 0.1113

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 8 uM Inhibition of human 15-hLO1 ChEMBL. 17826100
Ki (binding) = 8 uM Inhibition of human 15-hLO1 ChEMBL. 17826100
Ki (binding) = 9 uM Inhibition of human 12-hLO ChEMBL. 17826100
Ki (binding) = 9 uM Inhibition of human 12-hLO ChEMBL. 17826100
Ratio Ki (binding) = 1 Selectivity for 12-hLO over 15-hLO1 ChEMBL. 17826100

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.