Detailed information for compound 1212469

Basic information

Technical information
  • TDR Targets ID: 1212469
  • Name: 4-[(4-methylphenyl)methyl]-N-(oxolan-2-ylmeth yl)-2,3-dihydro-1,4-benzothiazine-6-carboxami de
  • MW: 382.519 | Formula: C22H26N2O2S
  • H donors: 1 H acceptors: 1 LogP: 3.87 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CN1CCSc2c1cc(cc2)C(=O)NCC1CCCO1
  • InChi: 1S/C22H26N2O2S/c1-16-4-6-17(7-5-16)15-24-10-12-27-21-9-8-18(13-20(21)24)22(25)23-14-19-3-2-11-26-19/h4-9,13,19H,2-3,10-12,14-15H2,1H3,(H,23,25)
  • InChiKey: LLLZCVZXHSUIMC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(4-methylphenyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
  • 4-[(4-methylphenyl)methyl]-N-(2-tetrahydrofuranylmethyl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide
  • 4-(4-methylbenzyl)-N-(tetrahydrofurfuryl)-2,3-dihydro-1,4-benzothiazine-6-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
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
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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 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 guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 3 0.011 0.1244 0.1898
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0276 0.0518
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0276 0.2081
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0216 0.2556 0.889
Leishmania major trypanothione reductase 0.0095 0.1046 0.8268
Loa Loa (eye worm) glutathione reductase 0.0095 0.1046 0.2398
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0161 0.0904
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.0904
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0295 0.0568
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0276 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0342 0.4131 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0216 0.2556 0.5234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1783 0.3802
Trichomonas vaginalis CMGC family protein kinase 0.011 0.1244 0.2944
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0276 0.173
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.011 0.1244 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0154 0.0153
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.1046 0.8311
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.011 0.1244 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0276 0.041
Schistosoma mansoni hypothetical protein 0.0034 0.0295 0.0494
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0276 0.173
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.1188 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.0556 0.1236
Trypanosoma brucei trypanothione reductase 0.0095 0.1046 0.8311
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0276 0.152
Echinococcus multilocularis mitogen activated protein kinase 3 0.011 0.1244 0.1179
Schistosoma mansoni hypothetical protein 0.0342 0.4131 0.9025
Echinococcus multilocularis neuropeptide s receptor 0.0512 0.624 0.6212
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0154 0.0153
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0216 0.2556 0.5234
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0154 0.0153
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0154 0.0153
Mycobacterium leprae Probable imidazole glycerol-phosphate dehydratase HisB 0.0196 0.231 0.7979
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.011 0.1244 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0102 0.0071
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0198
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.0225
Echinococcus multilocularis thioredoxin glutathione reductase 0.0095 0.1053 0.0987
Mycobacterium ulcerans hypothetical protein 0.0023 0.0154 0.0153
Mycobacterium tuberculosis Probable imidazole glycerol-phosphate dehydratase HisB 0.0398 0.4821 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Schistosoma mansoni importin beta-1 0.0032 0.0266 0.043
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.0516
Schistosoma mansoni hypothetical protein 0.0034 0.0295 0.0494
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0216 0.2556 0.5234
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.1046 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0102 0.0298
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.152
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0276 0.0204
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.152
Leishmania major GTP-binding protein, putative 0.0024 0.0161 0.0516
Plasmodium falciparum bifunctional polynucleotide phosphatase/kinase 0.0017 0.0073 0.0000035706
Brugia malayi RNA, U transporter 1 0.0091 0.1003 0.238
Trichomonas vaginalis ran, putative 0.0024 0.0161 0.0152
Giardia lamblia Kinase, PLK 0.0106 0.1188 0.9511
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0266 0.1652
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0081 0.0025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.011 0.1244 1
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0527 0.1096
Plasmodium falciparum glutathione reductase 0.0095 0.1046 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0295 0.0547
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0276 0.0328
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0295 0.036
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0102 0.026
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0102 0.0044
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.011 0.1244 1
Brugia malayi Thioredoxin reductase 0.0095 0.1046 0.249
Trichomonas vaginalis glutaminase, putative 0.033 0.398 1
Plasmodium falciparum glutathione reductase 0.0033 0.0276 0.2081
Echinococcus multilocularis mitogen activated protein kinase 0.011 0.1244 0.1179
Trypanosoma brucei protein kinase, putative 0.011 0.1244 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.0751
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0527 0.1096
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0276 0.152
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0191 0.0229
Mycobacterium ulcerans glutaminase 0.033 0.398 0.8225
Leishmania major importin beta-1 subunit, putative 0.0026 0.0191 0.0778
Schistosoma mansoni survival motor neuron protein 0.0055 0.0556 0.1074
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0266 0.0195
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0154 0.0722
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.1188 0.1123
Plasmodium falciparum importin beta, putative 0.0032 0.0266 0.1987
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.002
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0102 0.0029
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0266 0.1652
Echinococcus multilocularis snurportin 1 0.0342 0.4131 0.4088
Onchocerca volvulus Bifunctional polynucleotide phosphatase\/kinase homolog 0.0017 0.0073 0.0615
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0295 0.0547
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.011 0.1244 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0102 0.0247
Plasmodium vivax glutathione reductase, putative 0.0095 0.1046 1
Echinococcus granulosus GPCR family 2 0.0034 0.0295 0.036
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0167 0.0241
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1188 0.2479
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.1783 0.1722
Schistosoma mansoni hypothetical protein 0.0377 0.4569 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.1188 0.2853
Schistosoma mansoni ap endonuclease 0.0019 0.0102 0.0064
Echinococcus granulosus mitogen activated protein kinase 0.011 0.1244 0.1898
Brugia malayi hypothetical protein 0.0271 0.3244 0.8116
Schistosoma mansoni hypothetical protein 0.0034 0.0295 0.0494
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Echinococcus granulosus neuropeptide s receptor 0.0512 0.624 1
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Echinococcus granulosus thioredoxin glutathione reductase 0.0095 0.1053 0.1589
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.1783 0.2772
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.1188 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0295 0.036
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0161 0.0143
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0154 0.0153
Entamoeba histolytica Ran family GTPase 0.0024 0.0161 0.0789
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.122 0.2935
Trypanosoma brucei polo-like protein kinase 0.0106 0.1188 0.9524
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0295 0.0224
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0216 0.2556 0.5234
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.011 0.1244 1
Echinococcus granulosus snurportin 1 0.0342 0.4131 0.658
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0154 0.1783 0.4376
Loa Loa (eye worm) glutaminase 0.033 0.398 0.9628
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0792 0.1839
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0276 0.045
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1188 0.9524
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0276 0.0447
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0276 0.173
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0154 0.0206
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.122 0.2825
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0295 0.0224
Entamoeba histolytica hypothetical protein 0.0026 0.0191 0.1057
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0161 0.0516
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0154 0.0451
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0161 0.0217
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0154 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.1783 0.2772
Schistosoma mansoni ap endonuclease 0.0019 0.0102 0.0064
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0198
Plasmodium falciparum thioredoxin reductase 0.0033 0.0276 0.2081
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0191 0.0229
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0276 0.2081
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.1046 0.2055
Echinococcus granulosus importin subunit beta 1 0.0032 0.0266 0.0314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1783 0.3802
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.0751
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0276 0.173
Mycobacterium tuberculosis Probable dehydrogenase 0.0216 0.2556 0.5234
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.011 0.1244 1
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.1046 0.2398
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0276 0.152
Trichomonas vaginalis CMGC family protein kinase 0.011 0.1244 0.2944
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.1188 0.9511
Echinococcus multilocularis geminin 0.0377 0.4569 0.4529
Schistosoma mansoni glutaminase 0.033 0.398 0.8689
Trichomonas vaginalis CMGC family protein kinase 0.011 0.1244 0.2944
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0154 0.0206
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0102 0.0074
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0081 0.0083
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Toxoplasma gondii thioredoxin reductase 0.0095 0.1046 0.8268
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0276 0.173
Echinococcus multilocularis survival motor neuron protein 1 0.0271 0.3244 0.3194
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.011 0.1244 0.2885
Brugia malayi Importin beta-1 subunit 0.0032 0.0266 0.0495
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0276 0.041
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0154 0.0206
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.002
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0161 0.0089
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.1188 0.1808
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.122 0.2935
Mycobacterium tuberculosis Probable oxidoreductase 0.024 0.2856 0.5865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.1783 0.3802
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0276 0.173
Plasmodium vivax bifunctional polynucleotide phosphatase/kinase, putative 0.0017 0.0073 0.0000035706
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.024 0.2856 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.1188 0.2747
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.002
Schistosoma mansoni kinase 0.0054 0.0544 0.1048
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0154 0.0722
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.002
Loa Loa (eye worm) hypothetical protein 0.0032 0.0266 0.0477
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0276 1
Loa Loa (eye worm) glutaminase 2 0.033 0.398 0.9628
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0102 0.0047
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0276 0.173
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0102 0.0247
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0266 0.144
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.024 0.2856 0.5865
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.1783 0.1722
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0276 0.152
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0191 0.1007
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0154 0.1783 0.4213
Schistosoma mansoni hypothetical protein 0.0377 0.4569 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1188 0.9524
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0154 0.0153
Loa Loa (eye worm) hypothetical protein 0.0109 0.122 0.2825
Onchocerca volvulus 0.0023 0.0154 0.1293
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0102 0.0247
Schistosoma mansoni ran 0.0024 0.0161 0.0196
Echinococcus granulosus survival motor neuron protein 1 0.0271 0.3244 0.5142
Schistosoma mansoni hypothetical protein 0.0074 0.0792 0.1598
Schistosoma mansoni hypothetical protein 0.0055 0.0556 0.1074
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0154 0.0451
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.024 0.2856 0.5865
Loa Loa (eye worm) hypothetical protein 0.0074 0.0792 0.1771
Schistosoma mansoni ran 0.0024 0.0161 0.0196
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0276 0.2081
Plasmodium vivax importin-beta 2, putative 0.0032 0.0266 0.1987
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0081 0.0083
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0276 0.0434
Trichomonas vaginalis CMGC family protein kinase 0.011 0.1244 0.2944
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0154 0.0451
Brugia malayi glutaminase DH11.1 0.033 0.398 1
Brugia malayi glutathione reductase 0.0095 0.1046 0.249
Giardia lamblia Kinase, CMGC MAPK 0.011 0.1244 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0276 0.152
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0102 0.0298
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0102 0.0069
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0276 0.0447
Echinococcus multilocularis GPCR, family 2 0.0034 0.0295 0.0224
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0276 0.041
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0167 0.0241
Mycobacterium tuberculosis Probable reductase 0.0216 0.2556 0.5234
Loa Loa (eye worm) hypothetical protein 0.0017 0.0081 0.002
Onchocerca volvulus 0.0055 0.0556 0.4679
Plasmodium falciparum thioredoxin reductase 0.0095 0.1046 1
Loa Loa (eye worm) hypothetical protein 0.0271 0.3244 0.7814
Treponema pallidum NADH oxidase 0.0033 0.0276 1
Schistosoma mansoni serine/threonine protein kinase 0.011 0.1244 0.2603
Loa Loa (eye worm) hypothetical protein 0.0023 0.0154 0.0198
Mycobacterium ulcerans imidazoleglycerol-phosphate dehydratase 0.0398 0.4821 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0154 0.0177
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0154 0.0722
Echinococcus granulosus neuropeptide receptor A26 0.0512 0.624 1
Brugia malayi MAP kinase sur-1 0.011 0.1244 0.2996
Echinococcus multilocularis neuropeptide receptor A26 0.0512 0.624 0.6212
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0154 0.0153
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0276 0.173
Schistosoma mansoni hypothetical protein 0.0034 0.0295 0.0494
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1188 0.28
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0276 0.2081
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0276 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0295 0.0568
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0191 0.0229
Echinococcus granulosus geminin 0.0377 0.4569 0.7291
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0161 0.0751

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 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) 3.1623 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 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

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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