Detailed information for compound 1397895

Basic information

Technical information
  • TDR Targets ID: 1397895
  • Name: ethyl 5-(4-chloro-2-nitrophenyl)sulfanyl-4-me thoxy-2-methylthiophene-3-carboxylate
  • MW: 387.858 | Formula: C15H14ClNO5S2
  • H donors: 0 H acceptors: 3 LogP: 5.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)sc(c1OC)Sc1ccc(cc1[N+](=O)[O-])Cl
  • InChi: 1S/C15H14ClNO5S2/c1-4-22-14(18)12-8(2)23-15(13(12)21-3)24-11-6-5-9(16)7-10(11)17(19)20/h5-7H,4H2,1-3H3
  • InChiKey: IESCCWOVPKJHAO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-(4-chloro-2-nitro-phenyl)sulfanyl-4-methoxy-2-methyl-thiophene-3-carboxylate
  • 5-[(4-chloro-2-nitrophenyl)thio]-4-methoxy-2-methyl-3-thiophenecarboxylic acid ethyl ester
  • 5-[(4-chloro-2-nitro-phenyl)thio]-4-methoxy-2-methyl-thiophene-3-carboxylic acid ethyl ester
  • MLS000533720
  • SMR000141158
  • ethyl 5-[(4-chloro-2-nitrophenyl)thio]-4-methoxy-2-methyl-3-thiophenecarboxylate
  • ZINC00977898
  • BIM-0048824.P001
  • CBMicro_048867

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0059 0.0236 0.0178
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0501 0.0527
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni amine GPCR 0.0059 0.0236 0.0221
Schistosoma mansoni inositol monophosphatase 0.0045 0.0059 0.0044
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0059 0.0236 0.0178
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0059 0.0236 0.0221
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi putative neuropeptide receptor 0.0059 0.0236 0.0261
Brugia malayi follicle stimulating hormone receptor 0.0059 0.0236 0.0261
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0059 0.0236 0.0261
Echinococcus granulosus g protein coupled receptor 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0059 0.0236 0.0221
Echinococcus granulosus neuropeptides capa receptor 0.0059 0.0236 0.0178
Brugia malayi G protein-coupled receptor 0.0059 0.0236 0.0261
Mycobacterium ulcerans hypothetical protein 0.031 0.3406 1
Echinococcus granulosus neuropeptide receptor 0.0059 0.0236 0.0178
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0059 0.0236 0.0221
Echinococcus multilocularis neuropeptide receptor 0.0059 0.0236 0.0178
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus g protein coupled receptor 0.0059 0.0236 0.0178
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0255 0.0285
Schistosoma mansoni neuropeptide f receptor 76f 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi Inositol-1 0.0045 0.0059 0.0052
Echinococcus granulosus biogenic amine 5HT receptor 0.0059 0.0236 0.0178
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.071 0.8451 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0059 0.0236 0.0221
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.071 0.8451 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0501 0.0527
Schistosoma mansoni amine GPCR 0.0059 0.0236 0.0221
Schistosoma mansoni alpha-1 adrenergic receptor 0.0059 0.0236 0.0221
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 0.5
Schistosoma mansoni opsin-like receptor 0.0059 0.0236 0.0221
Echinococcus granulosus g-protein coupled receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) G-protein coupled receptor 0.0059 0.0236 0.0261
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) neuropeptide F receptor 0.0059 0.0236 0.0261
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0059 0.0236 0.0178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Echinococcus multilocularis serotonin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Brugia malayi G-protein coupled receptor 0.0059 0.0236 0.0261
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.071 0.8451 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.071 0.8451 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.006 0.0255 0.0285
Brugia malayi ORL1-like opioid receptor 0.0059 0.0236 0.0261
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0059 0.0236 0.0221
Brugia malayi Serotonin receptor 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0059 0.0236 0.0261
Echinococcus multilocularis somatostatin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) neuropeptide F receptor 0.0059 0.0236 0.0261
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 1
Echinococcus multilocularis g protein coupled receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis serotonin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0059 0.0236 0.0178
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0059 0.0236 0.0221
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Brugia malayi G protein-coupled receptor F59B2.13 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis orexin receptor type 2 0.0059 0.0236 0.0178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0255 0.0285
Brugia malayi protein-S isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) TYRA-2 protein 0.0059 0.0236 0.0261
Echinococcus granulosus fmrfamide receptor 0.0059 0.0236 0.0178
Brugia malayi neuropeptide F receptor 0.0059 0.0236 0.0261
Echinococcus multilocularis neuropeptide Y receptor 0.0059 0.0236 0.0178
Echinococcus multilocularis neuropeptide Y receptor 0.0059 0.0236 0.0178
Echinococcus granulosus 7TM GPCR rhodopsin 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni neuropeptide receptor 0.0059 0.0236 0.0221
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0501 0.0445
Brugia malayi Melatonin receptor type 1A 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis g protein coupled receptor 0.0059 0.0236 0.0178
Schistosoma mansoni amine GPCR 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni neuropeptide F-like receptor 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0255 0.0285
Echinococcus multilocularis neuropeptides capa receptor 0.0059 0.0236 0.0178
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0059 0.0236 0.0221
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0059 0.0236 0.0221
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0059 0.0236 0.0261
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2664 0.314
Echinococcus granulosus neuropeptide receptor A26 0.0614 0.7238 0.7222
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine (5HT) receptor 0.0059 0.0236 0.0221
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3102 0.3626
Schistosoma mansoni neuropeptide receptor 0.0059 0.0236 0.0221
Echinococcus multilocularis 0.071 0.8451 0.8442
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.031 0.3406 1
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0059 0.0236 0.0261
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0059 0.0236 0.0261
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0501 0.0576
Echinococcus multilocularis allatostatin A receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0059 0.0236 0.0178
Schistosoma mansoni neuropeptide receptor 0.0059 0.0236 0.0221
Echinococcus multilocularis neuropeptides capa receptor 0.0059 0.0236 0.0178
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0059 0.0236 0.0221
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.071 0.8451 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0059 0.0236 0.0261
Brugia malayi Serotonin receptor 0.0059 0.0236 0.0261
Schistosoma mansoni adenoreceptor 0.0059 0.0236 0.0221
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.071 0.8451 0.8442
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni hypothetical protein 0.0059 0.0236 0.0221
Echinococcus multilocularis G-protein coupled receptor, putative 0.0059 0.0236 0.0178
Schistosoma mansoni histamine h1 receptor 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0059 0.0236 0.0178
Echinococcus granulosus tm gpcr rhodopsin 0.0059 0.0236 0.0178
Brugia malayi RE15519p 0.0059 0.0236 0.0261
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0059 0.0236 0.0178
Brugia malayi larval opioid receptor 0.0059 0.0236 0.0261
Echinococcus granulosus alpha 1A adrenergic receptor 0.0059 0.0236 0.0178
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine receptor 0.0059 0.0236 0.0221
Schistosoma mansoni myosin xvIII 0.0059 0.0236 0.0221
Schistosoma mansoni biogenic amine (5HT) receptor 0.0059 0.0236 0.0221
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0501 0.0527
Echinococcus granulosus sex peptide receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus tachykinin peptides receptor 99D 0.0059 0.0236 0.0178
Echinococcus granulosus neuropeptide s receptor 0.0614 0.7238 0.7222
Loa Loa (eye worm) melatonin receptor type 1A 0.0059 0.0236 0.0261
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0078 0.002
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Brugia malayi putative neuropeptide receptor NPR1 0.0059 0.0236 0.0261
Brugia malayi Dopamine receptor protein 2 0.0059 0.0236 0.0261
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0059 0.0236 0.0178
Brugia malayi Pre-SET motif family protein 0.0251 0.2664 0.314
Echinococcus granulosus neuropeptides capa receptor 0.0059 0.0236 0.0178
Echinococcus multilocularis neuropeptide FF receptor 2 0.0059 0.0236 0.0178
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.071 0.8451 0.8449
Echinococcus multilocularis G protein coupled receptor 139 0.0059 0.0236 0.0178
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0059 0.0236 0.0261
Schistosoma mansoni opsin-like receptor 0.0059 0.0236 0.0221
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0059 0.0236 0.0178
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis dro:myosuppressin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) G-protein coupled receptor 0.0059 0.0236 0.0261
Loa Loa (eye worm) inositol-1 0.0045 0.0059 0.0052
Echinococcus multilocularis neuropeptide receptor A26 0.0614 0.7238 0.7222
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.071 0.8451 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0059 0.0236 0.0178
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni neuropeptide receptor 0.0059 0.0236 0.0221
Echinococcus granulosus biogenic amine 5HT receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.071 0.8451 1
Echinococcus granulosus allatostatin A receptor 0.0059 0.0236 0.0178
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Echinococcus granulosus G protein coupled receptor 139 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus orexin receptor type 2 0.0059 0.0236 0.0178
Schistosoma mansoni amine GPCR 0.0059 0.0236 0.0221
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.071 0.8451 1
Echinococcus multilocularis sex peptide receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis g protein coupled receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi AKH receptor 0.0059 0.0236 0.0261
Echinococcus multilocularis neuropeptide receptor 0.0059 0.0236 0.0178
Echinococcus granulosus somatostatin receptor 0.0059 0.0236 0.0178
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine receptor 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus neuropeptide FF receptor 2 0.0059 0.0236 0.0178
Echinococcus multilocularis fmrfamide receptor 0.0059 0.0236 0.0178
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Echinococcus granulosus g protein coupled receptor 0.0059 0.0236 0.0178
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0501 0.0445
Brugia malayi neuropeptide F receptor 0.0059 0.0236 0.0261
Schistosoma mansoni biogenic amine receptor 0.0059 0.0236 0.0221
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0501 0.0527
Schistosoma mansoni hypothetical protein 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 1
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0501 0.0527
Brugia malayi Dopamine receptor 0.0059 0.0236 0.0261
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0059 0.0236 0.0221
Schistosoma mansoni opsin-like receptor 0.0059 0.0236 0.0221
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0078 0.002
Onchocerca volvulus 0.0286 0.3102 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni hypothetical protein 0.0059 0.0236 0.0221
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0059 0.0236 0.0178
Echinococcus granulosus dro:myosuppressin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0059 0.0236 0.0261
Brugia malayi GnHR receptor homolog 0.0059 0.0236 0.0261
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0059 0.0236 0.0261
Schistosoma mansoni amine GPCR 0.0059 0.0236 0.0221
Echinococcus granulosus hypothetical protein 0.0059 0.0236 0.0178
Echinococcus multilocularis g-protein coupled receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi sulfakinin receptor protein 0.0059 0.0236 0.0261
Echinococcus granulosus neuropeptide Y receptor 0.0059 0.0236 0.0178
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0059 0.0236 0.0221
Echinococcus granulosus tm gpcr rhodopsin 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0059 0.0236 0.0178
Schistosoma mansoni growth hormone secretagogue receptor 0.0059 0.0236 0.0221
Schistosoma mansoni inositol monophosphatase 0.0045 0.0059 0.0044
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0501 0.0576
Echinococcus multilocularis fmrfamide receptor 0.0059 0.0236 0.0178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Echinococcus granulosus neuropeptide receptor 0.0059 0.0236 0.0178
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0501 0.0487
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.071 0.8451 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus granulosus tm gpcr rhodopsin 0.0059 0.0236 0.0178
Echinococcus granulosus peptide allatostatin:somatostatin 0.0059 0.0236 0.0178
Echinococcus granulosus neuropeptide Y receptor 0.0059 0.0236 0.0178
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0059 0.0236 0.0221
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.071 0.8451 1
Echinococcus granulosus serotonin receptor 0.0059 0.0236 0.0178
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Brugia malayi Dopamine receptor protein 1 0.0059 0.0236 0.0261
Loa Loa (eye worm) hypothetical protein 0.0059 0.0236 0.0261
Echinococcus multilocularis neuropeptide s receptor 0.0614 0.7238 0.7222
Brugia malayi Tachykinin-like peptides receptor 99D 0.0059 0.0236 0.0261
Brugia malayi hypothetical protein 0.0059 0.0236 0.0261
Schistosoma mansoni hypothetical protein 0.0059 0.0236 0.0221
Schistosoma mansoni neuropeptide F-like receptor 0.0059 0.0236 0.0221
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0059 0.0236 0.0221
Brugia malayi G-protein coupled receptor 0.0059 0.0236 0.0261

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 3.6964 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
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (binding) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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