Detailed information for compound 229817

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.693 | Formula: C12H10ClFN5-
  • H donors: 1 H acceptors: 3 LogP: 2.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Cn1nnc2c1ccnc2N.[Cl-]
  • InChi: 1S/C12H10FN5.ClH/c13-9-4-2-1-3-8(9)7-18-10-5-6-15-12(14)11(10)16-17-18;/h1-6H,7H2,(H2,14,15);1H/p-1
  • InChiKey: KTCIIQZTSFSXLI-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia UPL-1 0.0055 0.0062 0.0569
Loa Loa (eye worm) hypothetical protein 0.0059 0.0078 0.0296
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0454 0.1605 0.6902
Plasmodium falciparum acyl carrier protein 0.0043 0.0017 0.0147
Schistosoma mansoni jumonji domain containing protein 0.0155 0.0449 0.1686
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0043 0.0017 0.0014
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 0.0066 0.0103 0.0376
Brugia malayi AMP-binding enzyme family protein 0.0399 0.1394 0.4674
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0078 0.0251
Loa Loa (eye worm) hypothetical protein 0.0086 0.0182 0.0693
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0013 0.0043
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.017 0.0158
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0129 0.0447
Schistosoma mansoni purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0344 0.1179 0.5057
Loa Loa (eye worm) fatty acid synthase 0.0422 0.148 0.5637
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0055 0.0062 0.1166
Echinococcus granulosus acyl carrier protein mitochondrial 0.0043 0.0017 0.0015
Mycobacterium ulcerans fatty-acid-CoA ligase FadD9 0.0043 0.0017 0.0016
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0733 0.2683 1
Leishmania major hypothetical protein, conserved 0.0108 0.0269 0.7652
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0078 0.0408
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0055 0.0062 0.0212
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0107 0.0264 0.1091
Schistosoma mansoni hypothetical protein 0.0086 0.0182 0.0654
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0427 0.1502 0.5579
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0385 0.1436
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0265 0.0874 1
Brugia malayi Bromodomain containing protein 0.006 0.008 0.0269
Mycobacterium ulcerans peptide synthetase Nrp (peptide synthase) 0.0043 0.0017 0.0016
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0107 0.0264 0.0887
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0427 0.1502 0.6451
Brugia malayi AMP-binding enzyme family protein 0.0131 0.0358 0.12
Mycobacterium ulcerans acyl-CoA synthetase 0.0043 0.0017 0.0016
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0216 0.0685 0.4221
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Leishmania major nucleoside phosphorylase-like protein 0.0055 0.0062 0.1464
Echinococcus multilocularis GPCR, family 2 0.0086 0.0182 0.017
Mycobacterium ulcerans acyl carrier protein 0.0043 0.0017 0.0016
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.0293 0.1082
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.0293 0.1766
Treponema pallidum pfs protein (pfs) 0.0055 0.0062 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0385 0.1436
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0265 0.0874 0.2931
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0055 0.0062 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.0293 0.1766
Loa Loa (eye worm) hypothetical protein 0.0066 0.0103 0.0393
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0086 0.0182 0.017
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0349 0.1201 0.4451
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0079 0.0247
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0293 0.1766
Loa Loa (eye worm) TAR-binding protein 0.0138 0.0385 0.1465
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1166
Schistosoma mansoni eyes absent homolog 0.0098 0.023 0.084
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0062 0.0372
Schistosoma mansoni purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Echinococcus granulosus beta LACTamase domain containing family member 0.0115 0.0293 0.1082
Brugia malayi Muscleblind-like protein 0.0602 0.2176 0.7297
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.0385 0.1465
Trichomonas vaginalis esterase, putative 0.0115 0.0293 0.1766
Onchocerca volvulus 0.0115 0.0293 0.1036
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0043 0.0017 0.0059
Echinococcus multilocularis chromobox protein 1 0.0069 0.0118 0.0105
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtF 0.0043 0.0017 0.0016
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0265 0.0874 0.309
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.007 0.0122 0.042
Schistosoma mansoni hypothetical protein 0.0369 0.1276 0.4877
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0013 0.0049
Echinococcus granulosus geminin 0.0712 0.2602 1
Trichomonas vaginalis set domain proteins, putative 0.0468 0.166 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0049 0.0038 0.0096
Leishmania major methylthioadenosine phosphorylase, putative 0.0055 0.0062 0.1464
Mycobacterium tuberculosis Conserved protein 0.0115 0.0293 0.105
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0134 0.0369 0.1333
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0399 0.1394 0.5307
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 0.0066 0.0103 0.0338
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Schistosoma mansoni hypothetical protein 0.0086 0.0182 0.0654
Trypanosoma brucei uridine phosphorylase 0.0055 0.0062 0.1748
Mycobacterium tuberculosis Conserved hypothetical protein 0.0043 0.0017 0.0014
Brugia malayi Methyltransferase-like protein 4 0.0129 0.0347 0.1165
Mycobacterium tuberculosis Probable thioesterase TesA 0.0356 0.1227 0.4547
Wolbachia endosymbiont of Brugia malayi acyl carrier protein 0.0043 0.0017 0.015
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.0043 0.0017 0.0016
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.0269 0.9137
Trypanosoma brucei hypothetical protein, conserved 0.0115 0.0293 1
Schistosoma mansoni hypothetical protein 0.0712 0.2602 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0272 0.09 0.3019
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0055 0.0062 0.1748
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Schistosoma mansoni methylthioadenosine phosphorylase 0.0055 0.0062 0.0189
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0118 0.0449
Mycobacterium ulcerans polyketide synthase 0.0454 0.1605 0.6902
Loa Loa (eye worm) transcription factor SMAD2 0.0374 0.1295 0.4933
Trypanosoma brucei PAB1-binding protein , putative 0.0108 0.0269 0.9137
Entamoeba histolytica hypothetical protein 0.0055 0.0062 0.1166
Brugia malayi jmjC domain containing protein 0.0195 0.0605 0.2027
Brugia malayi Pre-SET motif family protein 0.0411 0.144 0.4829
Brugia malayi MTAP 0.0055 0.0062 0.0207
Echinococcus granulosus jumonji domain containing protein 0.0083 0.017 0.0609
Mycobacterium tuberculosis Probable esterase LipL 0.0115 0.0293 0.105
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0199 0.0619 0.2356
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0086 0.0182 0.0654
Echinococcus granulosus peregrin 0.006 0.008 0.026
Mycobacterium ulcerans beta-lactamase 0.0115 0.0293 0.1215
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0147 0.0418 0.1517
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0344 0.1179 0.5057
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0055 0.0062 0.0569
Plasmodium falciparum phd finger protein, putative 0.006 0.008 0.263
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0277 0.0922 0.5709
Mycobacterium tuberculosis Meromycolate extension acyl carrier protein AcpM 0.0043 0.0017 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0079 0.0255
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0129 0.049
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0107 0.0264 1
Mycobacterium ulcerans lipase LipD 0.0115 0.0293 0.1215
Brugia malayi beta-lactamase family protein 0.0115 0.0293 0.0983
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0086 0.0182 0.0611
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0454 0.1605 0.6902
Schistosoma mansoni hypothetical protein 0.0049 0.0038 0.0096
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0199 0.0619 0.0607
Loa Loa (eye worm) beta-lactamase 0.0115 0.0293 0.1116
Mycobacterium ulcerans Type I modular polyketide synthase 0.0427 0.1502 0.6457
Mycobacterium tuberculosis Probable lipase LipD 0.0115 0.0293 0.105
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0078 0.0251
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0199 0.0619 0.2339
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0061 0.0087 0.2878
Entamoeba histolytica hypothetical protein 0.0151 0.0433 1
Brugia malayi TAR-binding protein 0.0138 0.0385 0.129
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0086 0.0182 0.017
Echinococcus multilocularis peregrin 0.006 0.008 0.0067
Echinococcus granulosus GPCR family 2 0.0086 0.0182 0.0654
Brugia malayi beta-lactamase 0.0115 0.0293 0.0983
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.081 0.2982 1
Loa Loa (eye worm) acyl carrier protein 0.0197 0.061 0.2321
Loa Loa (eye worm) hypothetical protein 0.0098 0.023 0.0877
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0069 0.0219
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD9 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0043 0.0017 0.0014
Loa Loa (eye worm) hypothetical protein 0.0602 0.2176 0.8287
Brugia malayi hypothetical protein 0.0098 0.023 0.0772
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0079 0.0414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0199 0.0619 0.2339
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0195 0.0605 0.0593
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0013 0.0077
Brugia malayi hypothetical protein 0.0151 0.0433 0.1452
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0454 0.1605 0.5963
Plasmodium vivax hypothetical protein, conserved 0.006 0.008 0.2403
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0043 0.0017 0.0056
Plasmodium vivax acyl carrier protein, putative 0.0043 0.0017 0.0134
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.0293 1
Onchocerca volvulus 0.0468 0.166 0.5868
Toxoplasma gondii LsmAD domain-containing protein 0.0108 0.0269 0.1609
Loa Loa (eye worm) hypothetical protein 0.0102 0.0245 0.0932
Toxoplasma gondii Purine nucleoside phosphorylase 0.0055 0.0062 0.0308
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0066 0.0103 0.0338
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0199 0.0619 0.0607
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0079 0.1971
Echinococcus granulosus NADH dehydrogenase 0.0043 0.0017 0.0015
Toxoplasma gondii type I fatty acid synthase 0.0066 0.0103 0.0567
Schistosoma mansoni hypothetical protein 0.0043 0.0017 0.0015
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0129 0.0447
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.0326 0.124
Mycobacterium leprae PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE) 0.0134 0.0369 0.1529
Brugia malayi Phosphopantetheine attachment site family protein 0.0043 0.0017 0.0056
Trypanosoma brucei beta-ketoacyl-ACP synthase 0.0107 0.0264 0.8978
Mycobacterium leprae Probable polyketide synthase Pks1 0.0454 0.1605 0.6897
Mycobacterium tuberculosis Hypothetical protein 0.0129 0.0347 0.1254
Trypanosoma brucei Acyl carrier protein, mitochondrial 0.0043 0.0017 0.0134
Mycobacterium leprae Probable lipase LipE 0.0115 0.0293 0.1201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0272 0.09 0.3429
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.0347 0.2093
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0639 0.232 0.864
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0454 0.1605 0.5963
Loa Loa (eye worm) hypothetical protein 0.0602 0.2176 0.8287
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0079 0.0286
Mycobacterium tuberculosis Probable acyl carrier protein AcpA (ACP) 0.0043 0.0017 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0078 0.0251
Plasmodium vivax hypothetical protein, conserved 0.0115 0.0293 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0115 0.0293 0.0281
Brugia malayi RNA binding protein 0.0138 0.0385 0.129
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0107 0.0264 0.8978
Schistosoma mansoni hypothetical protein 0.0712 0.2602 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0272 0.09 0.3019
Onchocerca volvulus 0.0115 0.0293 0.1036
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0399 0.1394 0.5172
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.0293 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0066 0.0103 0.0338
Trypanosoma cruzi Acyl carrier protein, mitochondrial, putative 0.0043 0.0017 0.0134
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Leishmania major acyl carrier protein, putative 0.0043 0.0017 0.0113
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0265 0.0874 0.5266
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0293 0.1766
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0293 0.1766
Toxoplasma gondii type I fatty acid synthase, putative 0.0304 0.1026 0.6364
Entamoeba histolytica hypothetical protein 0.0151 0.0433 1
Onchocerca volvulus 0.0744 0.2726 0.9637
Mycobacterium ulcerans hypothetical protein 0.0115 0.0293 0.1215
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0055 0.0062 0.1748
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0151 0.0433 0.1623
Mycobacterium ulcerans polyketide synthase 0.0427 0.1502 0.6457
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0427 0.1502 0.6451
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative 0.0107 0.0264 0.8978
Treponema pallidum acyl carrier protein 0.0043 0.0017 0.0769
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0199 0.0619 0.2074
Plasmodium vivax ataxin-2 like protein, putative 0.0108 0.0269 0.9137
Mycobacterium leprae probable uridine phosphorylase 0.0055 0.0062 0.0196
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Brugia malayi uridine phosphorylase family protein 0.0055 0.0062 0.0207
Brugia malayi Heterochromatin protein 1 0.0069 0.0118 0.0395
Echinococcus multilocularis chromobox protein 1 0.0069 0.0118 0.0105
Schistosoma mansoni hypothetical protein 0.0151 0.0433 0.1623
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Echinococcus granulosus chromobox protein 1 0.0069 0.0118 0.0406
Mycobacterium ulcerans thioesterase 0.0356 0.1227 0.5263
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0265 0.0874 0.3724
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0454 0.1605 0.5963
Brugia malayi PHD-finger family protein 0.006 0.008 0.0269
Toxoplasma gondii phosphorylase family protein 0.0055 0.0062 0.0308
Loa Loa (eye worm) hypothetical protein 0.0186 0.0568 0.2163
Entamoeba histolytica hypothetical protein 0.0151 0.0433 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1748
Echinococcus multilocularis geminin 0.0712 0.2602 0.2593
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0055 0.0062 0.1748
Mycobacterium tuberculosis Conserved protein 0.0129 0.0347 0.1254
Mycobacterium ulcerans polyketide synthase MbtD 0.0131 0.0358 0.1495
Onchocerca volvulus 0.0115 0.0293 0.1036
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0079 0.0286
Mycobacterium ulcerans phenyloxazoline synthase MbtB 0.0043 0.0017 0.0016
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0011 0.0069
Brugia malayi beta-lactamase family protein 0.0115 0.0293 0.0983
Plasmodium vivax SET domain protein, putative 0.0059 0.0078 0.2318
Onchocerca volvulus Alhambra homolog 0.006 0.008 0.0283
Toxoplasma gondii ABC1 family protein 0.0115 0.0293 0.176
Loa Loa (eye worm) hypothetical protein 0.0066 0.0103 0.0393
Loa Loa (eye worm) RNA binding protein 0.0138 0.0385 0.1465
Loa Loa (eye worm) hypothetical protein 0.0272 0.09 0.3429
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1166
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1166
Mycobacterium ulcerans 3-oxoacyl-(acyl carrier protein) synthase II 0.0107 0.0264 0.1091
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0414 0.1452 0.5389
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0307 0.1037 0.3835
Loa Loa (eye worm) latrophilin receptor protein 2 0.0086 0.0182 0.0693
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1166
Plasmodium falciparum 3-oxoacyl-acyl-carrier protein synthase I/II 0.0107 0.0264 0.9826
Onchocerca volvulus 0.007 0.0122 0.043
Entamoeba histolytica acyl-CoA synthetase, putative 0.0043 0.0017 0.009
Schistosoma mansoni chromobox protein 0.0069 0.0118 0.0406
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0414 0.1452 0.5389
Mycobacterium leprae Polyketide synthase Pks13 0.0639 0.232 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0043 0.0017 0.0056
Schistosoma mansoni transcription factor LCR-F1 0.0151 0.0433 0.1623
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0011 0.004
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 0.0066 0.0103 0.0338
Brugia malayi MH2 domain containing protein 0.0374 0.1295 0.4344
Mycobacterium ulcerans acyl carrier protein 0.0043 0.0017 0.0016
Loa Loa (eye worm) hypothetical protein 0.0115 0.0293 0.1116
Echinococcus granulosus snurportin 1 0.0369 0.1276 0.4877
Brugia malayi latrophilin 2 splice variant baaae 0.0186 0.0568 0.1905
Echinococcus granulosus uridine phosphorylase 1 0.0055 0.0062 0.0189
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.021 0.0662 0.2507
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.0269 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0385 0.1436
Loa Loa (eye worm) hypothetical protein 0.0239 0.0776 0.2953
Trypanosoma cruzi PAB1-binding protein , putative 0.0108 0.0269 0.9137
Brugia malayi Pre-SET motif family protein 0.0059 0.0078 0.0261
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0199 0.0619 0.2339
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0043 0.0017 0.0004
Schistosoma mansoni hypothetical protein 0.0086 0.0182 0.0654
Echinococcus multilocularis AMP dependent ligase 0.0043 0.0017 0.0004
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0118 0.071
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0055 0.0062 0.0569
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0265 0.0874 0.3734
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0055 0.0062 0.0235
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0344 0.1179 0.5049
Echinococcus multilocularis NADH dehydrogenase 0.0043 0.0017 0.0004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0411 0.144 0.5484
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.0385 0.129
Mycobacterium tuberculosis Probable lipase LipE 0.0115 0.0293 0.105
Mycobacterium tuberculosis Conserved protein 0.0115 0.0293 0.105
Mycobacterium tuberculosis Probable polyketide synthase Pks17 0.0104 0.0253 0.0901
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0055 0.0062 0.1748
Echinococcus granulosus muscleblind protein 0.0602 0.2176 0.8353
Loa Loa (eye worm) PHD-finger family protein 0.006 0.008 0.0305
Echinococcus multilocularis purine nucleoside phosphorylase 0.0265 0.0874 0.0862
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0055 0.0062 0.0049
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Loa Loa (eye worm) acyl carrier protein 0.0043 0.0017 0.0063
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0043 0.0017 0.0063
Toxoplasma gondii acyl carrier protein ACP 0.0043 0.0017 0.0024
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0369 0.1276 0.4858
Trypanosoma cruzi beta-ketoacyl synthase family protein, putative 0.0107 0.0264 0.8978
Onchocerca volvulus Fatty acid synthase homolog 0.077 0.2829 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.0293 0.1082
Schistosoma mansoni hypothetical protein 0.0186 0.0568 0.2144
Echinococcus multilocularis PHD finger protein rhinoceros 0.006 0.008 0.0067
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0454 0.1605 0.6897
Echinococcus multilocularis purine nucleoside phosphorylase 0.021 0.0662 0.065
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0385 0.1436
Mycobacterium ulcerans non-ribosomal peptide synthetase MbtE 0.0043 0.0017 0.0016
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0115 0.0293 0.105
Mycobacterium ulcerans polyketide synthase Pks13 0.0639 0.232 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0427 0.1502 0.6457
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0079 0.0255
Mycobacterium ulcerans polyketide synthase Pks9 0.0283 0.0942 0.403
Echinococcus granulosus PHD finger protein rhinoceros 0.006 0.008 0.026
Entamoeba histolytica acyl-CoA synthetase, putative 0.0043 0.0017 0.009
Giardia lamblia PHD finger protein 15 0.006 0.008 0.0782
Echinococcus granulosus methylthioadenosine phosphorylase 0.0055 0.0062 0.0189
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0055 0.0062 0.1748
Echinococcus granulosus 3 oxoacyl acyl carrier protein synthase 0.0107 0.0264 0.0972
Schistosoma mansoni uridine phosphorylase 0.0055 0.0062 0.0189
Mycobacterium tuberculosis Acyl carrier protein (ACP) MbtL 0.0043 0.0017 0.0014
Toxoplasma gondii type I fatty acid synthase, putative 0.0454 0.1605 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0055 0.0062 0.0189
Chlamydia trachomatis 3-oxoacyl-ACP synthase 0.0107 0.0264 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0118 0.071
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0131 0.0358 0.1292
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0043 0.0017 0.0014
Schistosoma mansoni hypothetical protein 0.0086 0.0182 0.0654
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0043 0.0017 0.0014
Brugia malayi hypothetical protein 0.0108 0.0269 0.0902
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.006 0.008 0.026
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0078 0.0251
Echinococcus multilocularis 3 oxoacyl (acyl carrier protein) synthase 0.0107 0.0264 0.0252
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0055 0.0062 0.0212
Trichomonas vaginalis conserved hypothetical protein 0.0055 0.0062 0.0372
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0115 0.0293 0.0983
Echinococcus multilocularis tar DNA binding protein 0.0138 0.0385 0.0372
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0199 0.0619 0.2339
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0151 0.0433 0.0421
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0011 0.0069
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Loa Loa (eye worm) hypothetical protein 0.0098 0.023 0.0877
Echinococcus granulosus tar DNA binding protein 0.0138 0.0385 0.1436
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0115 0.0293 0.105
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0356 0.1227 0.5255
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0055 0.0062 0.0183
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0265 0.0874 0.3226
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0079 0.0286
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0283 0.0942 0.403
Toxoplasma gondii 3-oxoacyl-acyl-carrier protein synthase I/II, putative 0.0107 0.0264 0.1581
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0243 0.0789 0.2908
Plasmodium vivax hypothetical protein, conserved 0.0061 0.0087 0.263
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.008 0.0423
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0055 0.0062 0.1748
Schistosoma mansoni methylthioadenosine phosphorylase 0.0055 0.0062 0.0189
Schistosoma mansoni 3-oxoacyl-[ACP] synthase 0.0107 0.0264 0.0972
Onchocerca volvulus 0.0399 0.1394 0.4927
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0195 0.0605 0.2285
Schistosoma mansoni uridine phosphorylase 0.0055 0.0062 0.0189
Schistosoma mansoni acyl carrier protein 0.0043 0.0017 0.0015
Treponema pallidum uridine phosphorylase (udp) 0.0055 0.0062 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0199 0.0619 0.2339
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0173 0.0518 0.1892
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0079 0.0066
Echinococcus multilocularis uridine phosphorylase 1 0.0055 0.0062 0.0049
Chlamydia trachomatis AMP nucleosidase 0.0055 0.0062 0.1824
Leishmania major beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative 0.0107 0.0264 0.7519
Mycobacterium ulcerans Type I modular polyketide synthase 0.0427 0.1502 0.6457
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0078 0.0065
Loa Loa (eye worm) beta-ketoacyl synthase domain-containing protein 0.0107 0.0264 0.1007
Mycobacterium ulcerans esterase/lipase LipP 0.0115 0.0293 0.1215
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0427 0.1502 0.5038
Leishmania major hypothetical protein, conserved 0.0129 0.0347 1
Brugia malayi hypothetical protein 0.007 0.012 0.0403
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0079 0.0255
Brugia malayi Latrophilin receptor protein 2 0.0086 0.0182 0.0611
Toxoplasma gondii phosphorylase family protein 0.0055 0.0062 0.0308
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0115 0.0293 0.1215
Brugia malayi jmjC domain containing protein 0.0072 0.0129 0.0431
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0129 0.0116
Mycobacterium tuberculosis Probable hydrolase 0.0115 0.0293 0.105
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0055 0.0062 0.1166
Leishmania major hypothetical protein, conserved 0.0115 0.0293 0.8375
Mycobacterium ulcerans Type I modular polyketide synthase 0.0427 0.1502 0.6457
Mycobacterium ulcerans hypothetical protein 0.0043 0.0017 0.0016
Mycobacterium leprae conserved hypothetical protein 0.0115 0.0293 0.1201
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0454 0.1605 0.6897
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0078 0.0065
Echinococcus multilocularis purine nucleoside phosphorylase 0.021 0.0662 0.065
Mycobacterium ulcerans polyketide synthase MbtC 0.0107 0.0264 0.1091
Plasmodium falciparum purine nucleoside phosphorylase 0.0055 0.0062 0.1913
Mycobacterium ulcerans fatty acid synthase Fas 0.0134 0.0369 0.1543
Mycobacterium tuberculosis Hypothetical protein 0.0055 0.0062 0.0183
Loa Loa (eye worm) hypothetical protein 0.006 0.008 0.0305
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0043 0.0017 0.0014
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0086 0.0182 0.0654
Echinococcus granulosus purine nucleoside phosphorylase 0.0265 0.0874 0.3326
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0055 0.0062 0.0372
Loa Loa (eye worm) MH2 domain-containing protein 0.0374 0.1295 0.4933
Loa Loa (eye worm) hypothetical protein 0.0108 0.0269 0.1024
Onchocerca volvulus 0.0043 0.0017 0.0059
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0427 0.1502 0.5579
Echinococcus granulosus chromobox protein 1 0.0069 0.0118 0.0406
Schistosoma mansoni chromobox protein 0.0069 0.0118 0.0406
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0115 0.0293 0.1116
Echinococcus multilocularis muscleblind protein 1 0.0602 0.2176 0.2166
Echinococcus multilocularis snurportin 1 0.0369 0.1276 0.1265
Echinococcus granulosus AMP dependent ligase 0.0043 0.0017 0.0015
Loa Loa (eye worm) uridine phosphorylase 0.0055 0.0062 0.0235
Loa Loa (eye worm) hypothetical protein 0.021 0.0662 0.2521
Schistosoma mansoni hypothetical protein 0.006 0.008 0.026
Brugia malayi RNA, U transporter 1 0.0098 0.023 0.077
Giardia lamblia Methyltransferase like 2 0.0129 0.0347 0.3886
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0283 0.0942 0.402
Schistosoma mansoni methyltransferase-related 0.0129 0.0347 0.1292
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0639 0.232 0.864
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0427 0.1502 0.5579
Mycobacterium tuberculosis Conserved protein 0.0115 0.0293 0.105
Loa Loa (eye worm) hypothetical protein 0.0718 0.2626 1
Echinococcus multilocularis muscleblind protein 0.0602 0.2176 0.2166
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0115 0.0293 0.105
Mycobacterium tuberculosis Conserved hypothetical protein 0.0055 0.0062 0.0183
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.008 0.0423
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0013 0.0077
Plasmodium falciparum ataxin-2 like protein, putative 0.0108 0.0269 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0049 0.0038 0.0025
Mycobacterium ulcerans thioesterase TesA 0.0356 0.1227 0.5263
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0129 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0138 0.0385 0.1436
Entamoeba histolytica hypothetical protein 0.0151 0.0433 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 11.5 mg kg-1 Anticonvulsant activity against maximal electroshock-induced seizures in Wistar rats following p.o. administration. ChEMBL. 7562950
ED50 (functional) = 28.4 mg kg-1 Anticonvulsant activity against maximal electroshock-induced seizures in Wistar rats following i.p. administration. ChEMBL. 7562950

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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