Detailed information for compound 1435614

Basic information

Technical information
  • TDR Targets ID: 1435614
  • Name: 5-[(2,6-difluorophenoxy)methyl]-N-(1H-imidazo l-2-ylmethyl)-N-methyl-1,2-oxazole-3-carboxam ide
  • MW: 348.304 | Formula: C16H14F2N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.53 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1noc(c1)COc1c(F)cccc1F)Cc1ncc[nH]1
  • InChi: 1S/C16H14F2N4O3/c1-22(8-14-19-5-6-20-14)16(23)13-7-10(25-21-13)9-24-15-11(17)3-2-4-12(15)18/h2-7H,8-9H2,1H3,(H,19,20)
  • InChiKey: ULSRKYASAQDDBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2,6-difluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)-N-methyl-isoxazole-3-carboxamide
  • 5-[(2,6-difluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-isoxazolecarboxamide
  • 5-[(2,6-difluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)-N-methylisoxazole-3-carboxamide
  • MLS000773132
  • SMR000316995

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi beta-lactamase family protein 0.0036 0.035 0.0371
Trichomonas vaginalis rotamase, putative 0.0034 0.0327 0.4775
Echinococcus granulosus dnaJ subfamily B 0.0417 0.506 0.568
Toxoplasma gondii hypothetical protein 0.0063 0.0685 0.516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Onchocerca volvulus 0.0017 0.0125 0.0239
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0856 0.0946
Onchocerca volvulus 0.0063 0.0685 0.2141
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0063 0.0685 0.0748
Onchocerca volvulus Huntingtin homolog 0.025 0.3002 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0856 0.0946
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Echinococcus granulosus o acyltransferase membrane bound domain 0.0063 0.0685 0.0748
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0076 0.1115
Onchocerca volvulus 0.0017 0.0125 0.0239
Onchocerca volvulus 0.0021 0.0169 0.0387
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.035 0.0335
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.035 0.5112
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0125 0.1559
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0063 0.0685 0.516
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0063 0.0685 0.0665
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Echinococcus multilocularis expressed protein 0.0034 0.0337 0.0317
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0062 0.0041
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0062 0.0046
Brugia malayi diacylglycerol acyltransferase 0.0063 0.0685 0.0748
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Brugia malayi MBOAT family protein 0.0063 0.0685 0.0748
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.035 0.0371
Leishmania major cathepsin L-like protease 0.0017 0.0125 0.1228
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0593 0.065
Trypanosoma cruzi glycerol uptake protein, putative 0.0063 0.0685 0.9441
Loa Loa (eye worm) beta-lactamase 0.0036 0.035 0.0335
Schistosoma mansoni hypothetical protein 0.0417 0.506 0.5683
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0654 0.8997
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0125 0.1559
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0062 0.0052
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.035 0.5112
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.0327 0.2292
Echinococcus multilocularis cpg binding protein 0.0062 0.0681 0.0661
Onchocerca volvulus Huntingtin homolog 0.025 0.3002 1
Brugia malayi beta-lactamase 0.0036 0.035 0.0371
Leishmania major cathepsin L-like protease 0.0017 0.0125 0.1228
Leishmania major hypothetical protein, conserved 0.0036 0.035 0.4525
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0062 0.0009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0063 0.0685 0.0665
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0062 0.0046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0062 0.0026
Toxoplasma gondii ABC1 family protein 0.0036 0.035 0.2477
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0169 0.2214
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0169 0.0166
Trichomonas vaginalis transmembrane protein nessy, putative 0.0063 0.0685 1
Leishmania major cathepsin L-like protease 0.0066 0.0725 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0327 0.4348
Echinococcus multilocularis RUN 0.0021 0.0169 0.0147
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0063 0.0685 0.0748
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0685 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0062 0.0046
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Brugia malayi steroid hormone receptor 0.0012 0.0062 0.0046
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0593 0.0645
Onchocerca volvulus 0.0036 0.035 0.1004
Brugia malayi ecdysteroid receptor 0.0012 0.0062 0.0046
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0063 0.0685 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0062 0.0046
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0327 0.4606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0593 0.065
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0631 0.0687
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0169 0.0166
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0125 0.008
Entamoeba histolytica hypothetical protein, conserved 0.0063 0.0685 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0062 0.0046
Trypanosoma cruzi glycerol uptake protein, putative 0.0063 0.0685 0.9441
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.035 0.033
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Plasmodium vivax vivapain-2 0.0017 0.0125 0.1559
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Brugia malayi MBOAT family protein 0.0063 0.0685 0.0748
Leishmania major cathepsin L-like protease 0.0066 0.0725 1
Echinococcus multilocularis sterol O acyltransferase 1 0.0063 0.0685 0.0665
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0062 0.0052
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0092 0.008
Echinococcus granulosus tar DNA binding protein 0.0076 0.0856 0.094
Onchocerca volvulus 0.0036 0.035 0.1004
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0169 0.2214
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0125 0.008
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.035 0.5112
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0022 0.0006
Brugia malayi Cathepsin L-like cysteine proteinase 0.0012 0.0054 0.0037
Entamoeba histolytica vacuolar protein sorting 26 0.0063 0.0685 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Trypanosoma cruzi GUP1, putative 0.0063 0.0685 0.9441
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0685 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Treponema pallidum alginate O-acetylation protein (algI) 0.0063 0.0685 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Brugia malayi MBOAT family protein 0.0063 0.0685 0.0748
Plasmodium vivax hypothetical protein, conserved 0.0036 0.035 0.4953
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0137 0.013
Schistosoma mansoni rotamase 0.0034 0.0337 0.0362
Echinococcus granulosus cpg binding protein 0.0062 0.0681 0.0743
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0062 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0125 0.1559
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0062 0.0052
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Entamoeba histolytica hypothetical protein 0.0063 0.0685 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0327 0.4348
Leishmania major glycerol uptake protein, putative 0.0063 0.0685 0.9425
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0134 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0062 0.0009
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0063 0.0685 0.0665
Echinococcus granulosus o acyltransferase membrane bound domain 0.0063 0.0685 0.0748
Onchocerca volvulus 0.0017 0.0125 0.0239
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0728 0.8893 1
Brugia malayi hypothetical protein 0.0021 0.0169 0.0166
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Schistosoma mansoni hypothetical protein 0.0172 0.2037 0.2277
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0125 0.0117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0054 0.0794
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0125 0.1455 0.1621
Trypanosoma cruzi cruzipain precursor, putative 0.0066 0.0725 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0063 0.0685 0.0754
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.001 0.0041 0.0277
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0063 0.0685 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0022 0.0314
Onchocerca volvulus 0.0021 0.0169 0.0387
Brugia malayi CXXC zinc finger family protein 0.0059 0.0639 0.0696
Schistosoma mansoni cpg binding protein 0.0062 0.0681 0.0749
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0062 0.0052
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0062 0.0052
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.035 0.5
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Schistosoma mansoni loxhd1 0.0021 0.0169 0.0172
Trichomonas vaginalis rotamase, putative 0.0034 0.0337 0.4921
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.035 0.5112
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Brugia malayi Doublecortin family protein 0.0021 0.0169 0.0166
Mycobacterium leprae Probable lipase LipE 0.0036 0.035 0.5
Trichomonas vaginalis esterase, putative 0.0036 0.035 0.5112
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0062 0.0046
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.0327 0.4348
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0856 0.0836
Loa Loa (eye worm) MBOAT family protein 0.0063 0.0685 0.0714
Entamoeba histolytica cysteine protease, putative 0.0017 0.0125 0.1559
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0062 0.0046
Schistosoma mansoni lipoxygenase 0.0058 0.0631 0.0693
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0169 0.0147
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.506 0.505
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0125 0.0239
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2715 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0125 0.0123
Echinococcus granulosus geminin 0.0172 0.2037 0.2272
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0062 0.0041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Onchocerca volvulus 0.0059 0.0639 0.1984
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Brugia malayi Cathepsin L-like precursor 0.0012 0.0054 0.0037
Loa Loa (eye worm) hypothetical protein 0.0063 0.0685 0.0714
Mycobacterium leprae conserved hypothetical protein 0.0036 0.035 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0012 0.0054 0.0496
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0063 0.0685 0.0754
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0063 0.0685 0.0714
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0062 0.0046
Onchocerca volvulus 0.0017 0.0125 0.0239
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0062 0.0046
Brugia malayi nuclear receptor NHR-88 0.0012 0.0062 0.0046
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0337 0.4921
Brugia malayi Hhat protein 0.0063 0.0685 0.0748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0062 0.0009
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0063 0.0685 0.0754
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0063 0.0685 0.0665
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0041 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Loa Loa (eye worm) hypothetical protein 0.0021 0.0169 0.0129
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0062 0.0046
Onchocerca volvulus 0.0012 0.0062 0.0026
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0125 0.1559
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0062 0.0041
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0125 0.1228
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0092 0.0071
Schistosoma mansoni rab6-interacting 0.0021 0.0169 0.0172
Brugia malayi beta-lactamase family protein 0.0036 0.035 0.0371
Leishmania major glycerol uptake protein, putative 0.0063 0.0685 0.9425
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Trypanosoma brucei glycerol uptake protein, putative 0.0063 0.0685 0.9441
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0092 0.008
Echinococcus granulosus sterol O acyltransferase 1 0.0063 0.0685 0.0748
Onchocerca volvulus 0.0017 0.0125 0.0239
Loa Loa (eye worm) MBOAT family protein 0.0063 0.0685 0.0714
Schistosoma mansoni cathepsin F (C01 family) 0.0012 0.0054 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0062 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0062 0.0009
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0062 0.0052
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0169 0.0129
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0062 0.0041
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0063 0.0685 1
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0063 0.0685 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0092 0.0071
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.0551 0.7525
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0062 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0593 0.0573
Schistosoma mansoni hypothetical protein 0.0021 0.0169 0.0172
Loa Loa (eye worm) ctsf protein 0.0017 0.0125 0.008
Echinococcus multilocularis cysteine protease 0.0017 0.0125 0.0104
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.035 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0062 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0593 0.0645
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0062 0.0026
Loa Loa (eye worm) hypothetical protein 0.0021 0.0169 0.0129
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0063 0.0685 0.0748
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0856 0.094
Loa Loa (eye worm) hhat protein 0.0063 0.0685 0.0714
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0062 0.0041
Echinococcus granulosus expressed protein 0.0034 0.0337 0.0356
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0125 0.1472
Echinococcus granulosus cathepsin l1 0.0012 0.0054 0.0037
Trypanosoma brucei glycerol uptake protein, putative 0.0063 0.0685 0.9441
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0062 0.0046
Trypanosoma cruzi GUP1, putative 0.0063 0.0685 0.9441
Brugia malayi Cathepsin L-like precursor 0.0012 0.0054 0.0037
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0125 0.1559
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0022 0.0006
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0062 0.0046
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0062 0.0046
Trichomonas vaginalis porcupine, putative 0.0063 0.0685 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0685 0.0714
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0125 0.1823
Loa Loa (eye worm) RNA binding protein 0.0076 0.0856 0.0907
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0631 0.0611
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Brugia malayi MBOAT family protein 0.0063 0.0685 0.0748
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Loa Loa (eye worm) hhat protein 0.0063 0.0685 0.0714
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Echinococcus multilocularis cysteine protease 0.0017 0.0125 0.0104
Loa Loa (eye worm) hypothetical protein 0.025 0.3002 0.3335
Brugia malayi hypothetical protein 0.0021 0.0169 0.0166
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0169 0.0166
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0062 0.0046
Echinococcus granulosus zinc finger protein 0.0665 0.8119 0.9128
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0062 0.0041
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0137 0.0115
Leishmania major cathepsin L-like protease 0.0066 0.0725 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.035 0.0377
Schistosoma mansoni lipoxygenase 0.0021 0.0169 0.0172
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Schistosoma mansoni coup transcription factor 0.0012 0.0062 0.0052
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0092 0.0086
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0063 0.0685 0.0714
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0063 0.0685 0.0665
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0063 0.0685 0.0748
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.035 0.4676
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0062 0.0041
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0062 0.0009
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0125 0.0123
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0725 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0012 0.0054 0.0794
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0063 0.0685 1
Schistosoma mansoni cpg binding protein 0.0062 0.0681 0.0749
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0062 0.0046
Onchocerca volvulus 0.0017 0.0125 0.0239
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0062 0.0009
Mycobacterium ulcerans lipase LipD 0.0036 0.035 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0593 0.061
Echinococcus granulosus o acyltransferase membrane bound domain 0.0063 0.0685 0.0748
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0062 0.0052
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0062 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0856 0.0946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0062 0.0046
Loa Loa (eye worm) hypothetical protein 0.025 0.3002 0.3335
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0639 0.0662
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0337 0.0356
Brugia malayi nuclear hormone receptor 0.0012 0.0062 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0593 0.0573
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0062 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0076 0.1115
Leishmania major glycerol uptake protein, putative 0.0063 0.0685 0.9425
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0062 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0062 0.0009
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0062 0.0052
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0856 0.0907
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0062 0.0046
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0125 0.0104
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0169 0.0147
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0125 0.0239
Loa Loa (eye worm) hypothetical protein 0.0063 0.0685 0.0714
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0062 0.0041
Mycobacterium ulcerans beta-lactamase 0.0036 0.035 0.5
Loa Loa (eye worm) histone methyltransferase 0.0018 0.0137 0.0093
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0009 0.0022 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0062 0.0009
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Brugia malayi TAR-binding protein 0.0076 0.0856 0.094
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.035 0.0377
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0041 0.0277
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Loa Loa (eye worm) hypothetical protein 0.0063 0.0685 0.0714
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0125 0.0117
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0725 1
Leishmania major cathepsin L-like protease 0.0017 0.0125 0.1228
Schistosoma mansoni sterol O-acyltransferase 1 0.0063 0.0685 0.0754
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0593 0.0645
Schistosoma mansoni rab6-interacting 0.0021 0.0169 0.0172
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Echinococcus multilocularis geminin 0.0172 0.2037 0.202
Leishmania major glycerol uptake protein, putative 0.0063 0.0685 0.9425
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.001 0.0041 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.035 0.4676
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0125 0.0117
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.035 0.0371
Echinococcus granulosus RUN 0.0021 0.0169 0.0166
Schistosoma mansoni hypothetical protein 0.0172 0.2037 0.2277
Trypanosoma cruzi glycerol uptake protein, putative 0.0063 0.0685 0.9441
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0063 0.0685 0.0665
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0063 0.0685 0.0754
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0063 0.0685 0.516
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Leishmania major cathepsin L-like protease 0.0017 0.0125 0.1228
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0125 0.0104
Echinococcus multilocularis zinc finger protein 0.0665 0.8119 0.8115
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0593 0.065
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus granulosus cathepsin l1 0.0017 0.0125 0.0117
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.035 0.5112
Leishmania major hypothetical protein, conserved 0.0063 0.0685 0.9425
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0063 0.0685 0.0665
Leishmania major cathepsin L-like protease 0.0017 0.0125 0.1228
Schistosoma mansoni polycystin 1-related 0.0021 0.0169 0.0172
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0076 0.1115
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0125 0.008
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0337 0.032
Onchocerca volvulus 0.0017 0.0125 0.0239
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.0327 0.4187
Brugia malayi cathepsin L-like precursor 0.0012 0.0054 0.0037
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0062 0.0041
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0856 0.0946
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0125 0.1823
Mycobacterium ulcerans hypothetical protein 0.0036 0.035 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0076 0.1115
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0063 0.0685 0.0754
Onchocerca volvulus 0.0036 0.035 0.1004
Loa Loa (eye worm) fibroinase 0.0017 0.0125 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0063 0.0685 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.035 0.4676
Loa Loa (eye worm) hypothetical protein 0.0012 0.0062 0.0009
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0856 0.0907
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0009 0.0022 0.0314
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0062 0.0052
Brugia malayi MBOAT family protein 0.0728 0.8893 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.129 1
Brugia malayi RNA binding protein 0.0076 0.0856 0.094
Trypanosoma cruzi cysteine peptidase, putative 0.0066 0.0725 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0062 0.0046
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0066 0.0725 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0856 0.0946
Schistosoma mansoni zinc finger protein 0.0728 0.8893 1
Schistosoma mansoni hypothetical protein 0.0063 0.0685 0.0754
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0062 0.0046
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0125 0.0104
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0062 0.0052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0125 0.1823
Brugia malayi Cathepsin L-like precursor 0.0017 0.0125 0.0117
Schistosoma mansoni cpg binding protein 0.0059 0.0639 0.0702
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0125 0.0104
Loa Loa (eye worm) cysteine protease 0.0017 0.0125 0.008
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0062 0.0026
Brugia malayi follicle stimulating hormone receptor 0.0481 0.5846 0.6565
Leishmania major glycerol uptake protein, putative 0.0063 0.0685 0.9425
Loa Loa (eye worm) hypothetical protein 0.0036 0.035 0.0335
Brugia malayi hypothetical protein 0.025 0.3002 0.3359
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0125 0.0239
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0481 0.5846 0.6552
Loa Loa (eye worm) MBOAT family protein 0.0728 0.8893 1
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0728 0.8893 0.889
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0063 0.0685 0.0754
Plasmodium vivax vivapain-2 0.0017 0.0125 0.1559
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0169 0.0147
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0062 0.0046
Toxoplasma gondii cathepsin CPL 0.0017 0.0125 0.0672
Trichomonas vaginalis helicase, putative 0.0013 0.0076 0.1115

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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