Detailed information for compound 1296079

Basic information

Technical information
  • TDR Targets ID: 1296079
  • Name: methyl 3-methyl-5-(phenoxycarbonylamino)-1,2- thiazole-4-carboxylate
  • MW: 292.31 | Formula: C13H12N2O4S
  • H donors: 1 H acceptors: 3 LogP: 3.26 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(snc1C)NC(=O)Oc1ccccc1
  • InChi: 1S/C13H12N2O4S/c1-8-10(12(16)18-2)11(20-15-8)14-13(17)19-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,14,17)
  • InChiKey: PBZYLWNFZKGBBJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 3-methyl-5-(phenoxycarbonylamino)isothiazole-4-carboxylate
  • 3-methyl-5-[[oxo-(phenoxy)methyl]amino]-4-isothiazolecarboxylic acid methyl ester
  • 3-methyl-5-(phenoxycarbonylamino)isothiazole-4-carboxylic acid methyl ester
  • T5320466
  • MLS000772247
  • SMR000344374
  • ZINC03349008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-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
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA 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
Schistosoma mansoni tar DNA-binding protein 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0051 0.048 0.1076
Toxoplasma gondii ABC1 family protein 0.0042 0.0338 0.3881
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0312 0.4332 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.085 0.1935
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0235 0.0235
Schistosoma mansoni hypothetical protein 0.0197 0.2631 0.7216
Mycobacterium ulcerans beta-lactamase 0.0042 0.0338 0.3881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0536 0.0536
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0042 0.0042
Onchocerca volvulus 0.0042 0.0338 0.0672
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0392 0.1076
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0026 0.0106 1
Schistosoma mansoni ferritin 0.0026 0.0106 0.0292
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0338 0.0814
Schistosoma mansoni hypothetical protein 0.0197 0.2631 0.7216
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.03 0.03
Echinococcus multilocularis peregrin 0.0031 0.0171 0.0171
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.048 1
Treponema pallidum bacterioferrin (TpF1) 0.0026 0.0106 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0253 0.0694
Loa Loa (eye worm) TAR-binding protein 0.0076 0.085 0.1935
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0338 0.0961
Schistosoma mansoni ap endonuclease 0.0022 0.0042 0.0116
Schistosoma mansoni apoferritin-2 0.0026 0.0106 0.0292
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0026 0.0106 0.0177
Mycobacterium ulcerans bacterioferritin BfrA 0.0026 0.0106 0.0842
Brugia malayi beta-lactamase 0.0042 0.0338 0.0689
Echinococcus multilocularis expressed protein 0.0026 0.0106 0.0106
Trichomonas vaginalis set domain proteins, putative 0.023 0.3119 1
Schistosoma mansoni apoferritin-2 0.0026 0.0106 0.0292
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0147 0.1382
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0338 0.0338
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.1089 0.1089
Onchocerca volvulus 0.0102 0.1224 0.3644
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.1178 0.2649
Brugia malayi latrophilin 2 splice variant baaae 0.0213 0.2872 0.6598
Loa Loa (eye worm) MH2 domain-containing protein 0.024 0.3267 0.7533
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.147
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.1178 0.1178
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0536 0.1207
Entamoeba histolytica hypothetical protein 0.0039 0.03 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0825 0.1876
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0338 0.0814
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0043 0.0043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0132 0.0132
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.0338 0.3881
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.085 0.1884
Trichomonas vaginalis ferritin, putative 0.0026 0.0106 0.0208
Mycobacterium ulcerans lipase LipD 0.0042 0.0338 0.3881
Plasmodium falciparum phd finger protein, putative 0.0028 0.0137 0.2176
Echinococcus multilocularis geminin 0.0197 0.2631 0.2631
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0338 0.6754
Trichomonas vaginalis esterase, putative 0.0042 0.0338 0.0961
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.048 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0235 0.0235
Loa Loa (eye worm) hypothetical protein 0.0312 0.4332 1
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0338 0.0814
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0042 0.0042
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.0338 0.3881
Schistosoma mansoni hypothetical protein 0.0028 0.0137 0.0377
Brugia malayi hypothetical protein 0.0051 0.048 0.102
Brugia malayi RNA binding protein 0.0076 0.085 0.1884
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0338 0.0961
Brugia malayi Calcitonin receptor-like protein seb-1 0.0312 0.4332 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0304 0.0668
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0147 0.0404
Brugia malayi TAR-binding protein 0.0076 0.085 0.1884
Loa Loa (eye worm) hypothetical protein 0.0099 0.1178 0.2695
Brugia malayi Bromodomain containing protein 0.0037 0.0269 0.0528
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0576 0.0576
Mycobacterium tuberculosis Conserved protein 0.0042 0.0338 0.0814
Echinococcus granulosus GPCR family 2 0.0099 0.1178 0.1178
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.048 0.5747
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0301 0.0301
Echinococcus granulosus peregrin 0.0031 0.0171 0.0171
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0026 0.0106 0.0177
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0225 0.0225
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.3672 1
Brugia malayi jmjC domain containing protein 0.0036 0.0253 0.0491
Loa Loa (eye worm) beta-lactamase 0.0042 0.0338 0.0747
Schistosoma mansoni ferritin 0.0026 0.0106 0.0292
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.002 0.0015 0.0042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0536 0.0536
Schistosoma mansoni tar DNA-binding protein 0.0076 0.085 0.2333
Onchocerca volvulus 0.023 0.3119 1
Mycobacterium leprae Probable lipase LipE 0.0042 0.0338 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0338 0.0961
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0043 0.0117
Brugia malayi Ets-domain containing protein 0.0087 0.1013 0.2262
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.1178 0.1178
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0804 0.2098
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.048 1
Schistosoma mansoni gabp alpha 0.0087 0.1013 0.2777
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0804 1
Entamoeba histolytica hypothetical protein 0.0039 0.03 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0137 0.1251
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0338 0.6754
Brugia malayi MH2 domain containing protein 0.024 0.3267 0.7517
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.006 0.006
Schistosoma mansoni ferritin 0.0026 0.0106 0.0292
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0804 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0137 0.2176
Schistosoma mansoni ferritin light chain 0.0026 0.0106 0.0292
Brugia malayi Pre-SET motif family protein 0.0202 0.2706 0.621
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.2706 0.6234
Entamoeba histolytica hypothetical protein 0.0039 0.03 1
Onchocerca volvulus 0.0029 0.0147 0.0034
Schistosoma mansoni bromodomain containing protein 0.0061 0.0627 0.172
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.085 0.1935
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0338 0.0814
Mycobacterium tuberculosis Conserved protein 0.0042 0.0338 0.0814
Loa Loa (eye worm) hypothetical protein 0.0028 0.0137 0.0283
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0576 0.0576
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0338 0.0747
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0536 0.0536
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0338 1
Echinococcus multilocularis GPCR, family 2 0.0099 0.1178 0.1178
Brugia malayi Latrophilin receptor protein 2 0.0099 0.1178 0.2649
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0253 0.0551
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0804 0.2204
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0338 0.0689
Mycobacterium ulcerans bacterioferritin BfrB 0.0026 0.0106 0.0842
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.048 1
Schistosoma mansoni ets-related 0.0265 0.3646 1
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0338 0.0814
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.1089 0.1089
Echinococcus granulosus tar DNA binding protein 0.0076 0.085 0.085
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.1178 0.1178
Brugia malayi beta-lactamase family protein 0.0042 0.0338 0.0689
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0804 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0392 0.1076
Echinococcus granulosus geminin 0.0197 0.2631 0.2631
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0536 0.1151
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0253 0.0253
Onchocerca volvulus 0.0042 0.0338 0.0672
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0583 0.1315
Brugia malayi hypothetical protein 0.0033 0.021 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0076 0.085 0.2333
Giardia lamblia PHD finger protein 15 0.0028 0.0137 1
Schistosoma mansoni hypothetical protein 0.0213 0.2872 0.7878
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Mycobacterium ulcerans hypothetical protein 0.0042 0.0338 0.3881
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.1178 0.1178
Schistosoma mansoni hypothetical protein 0.0039 0.03 0.0824
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.048 1
Onchocerca volvulus 0.0042 0.0338 0.0672
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.1013 0.2311
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0147 0.0404
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.0037 0.027 0.059
Schistosoma mansoni hypothetical protein 0.0099 0.1178 0.3232
Brugia malayi beta-lactamase family protein 0.0042 0.0338 0.0689
Leishmania major hypothetical protein, conserved 0.0051 0.048 0.5747
Schistosoma mansoni ferritin light chain 0.0026 0.0106 0.0292
Echinococcus granulosus expressed protein 0.0026 0.0106 0.0106
Echinococcus multilocularis ferritin 0.0026 0.0106 0.0106
Brugia malayi PHD-finger family protein 0.0024 0.0077 0.008
Loa Loa (eye worm) fli-1 protein 0.0265 0.3646 0.8412
Mycobacterium tuberculosis Conserved protein 0.0042 0.0338 0.0814
Schistosoma mansoni ferritin 0.0026 0.0106 0.0292
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.006 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.03 0.03
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.147
Schistosoma mansoni tar DNA-binding protein 0.0076 0.085 0.2333
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0338 0.6754
Brugia malayi PHD-finger family protein 0.0028 0.0137 0.0222
Echinococcus granulosus ferritin 0.0026 0.0106 0.0106
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0338 0.0926
Loa Loa (eye worm) hypothetical protein 0.0213 0.2872 0.6619
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0338 0.0961
Brugia malayi jmjC domain containing protein 0.0093 0.1089 0.2441
Brugia malayi Ets-domain containing protein 0.0087 0.1013 0.2262
Schistosoma mansoni hypothetical protein 0.0023 0.006 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0536 0.147
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0338 0.0814
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.048 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0331 0.0732
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0536 0.0536
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0804 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0338 0.0961
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0392 0.0392
Schistosoma mansoni hypothetical protein 0.0099 0.1178 0.3232
Loa Loa (eye worm) hypothetical protein 0.0046 0.0392 0.0873
Brugia malayi Pre-SET motif family protein 0.0029 0.0147 0.0245
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.1224 0.3357
Loa Loa (eye worm) hypothetical protein 0.0048 0.0436 0.0976
Brugia malayi Bromodomain containing protein 0.0031 0.0171 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0076 0.085 0.2333
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0808 0.2215
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.03 0.0824
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0338 0.0926
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0392 0.0392
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0338 0.6754
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0137 0.1251
Loa Loa (eye worm) transcription factor SMAD2 0.024 0.3267 0.7533
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.1178 0.2695
Leishmania major hypothetical protein, conserved 0.0042 0.0338 0.3881
Echinococcus multilocularis tar DNA binding protein 0.0076 0.085 0.085
Schistosoma mansoni ap endonuclease 0.0022 0.0042 0.0116
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0804 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.085 0.2333
Entamoeba histolytica hypothetical protein 0.0039 0.03 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0804 0.0804
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0137 0.0283
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.1013 0.1013
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0312 0.4332 1
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0301 0.0301
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0804 0.0804
Loa Loa (eye worm) hypothetical protein 0.0069 0.0734 0.1665
Brugia malayi Fli-1 protein 0.0265 0.3646 0.8402
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0147 0.0147
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0137 0.0137
Brugia malayi hypothetical protein 0.0039 0.03 0.0602
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0042 0.0063
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0137 0.0377
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0338 0.0814
Schistosoma mansoni hypothetical protein 0.0099 0.1178 0.3232
Plasmodium vivax SET domain protein, putative 0.0029 0.0147 0.2405
Brugia malayi Bromodomain containing protein 0.0073 0.0795 0.1756
Schistosoma mansoni hypothetical protein 0.0099 0.1178 0.3232
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0253 0.0694
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0804 0.2204
Loa Loa (eye worm) hypothetical protein 0.0042 0.0338 0.0747
Loa Loa (eye worm) hypothetical protein 0.0102 0.1224 0.28

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 4.4668 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) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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.
 
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

No literature references available for this target.

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