Detailed information for compound 15936

Basic information

Technical information
  • TDR Targets ID: 15936
  • Name: (3R,5S)-5-hydroxypiperidin-1-ium-3-carboxylat e
  • MW: 145.156 | Formula: C6H11NO3
  • H donors: 3 H acceptors: 3 LogP: -3.44 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CNC[C@@H](C1)C(=O)O
  • InChi: 1S/C6H11NO3/c8-5-1-4(6(9)10)2-7-3-5/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m1/s1
  • InChiKey: OKNUJKFLEDJRTR-UHNVWZDZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (3R,5S)-5-hydroxy-3-piperidin-1-iumcarboxylate
  • (3R,5S)-5-hydroxypiperidine-3-carboxylic acid
  • (3R,5S)-5-hydroxy-3-piperidinecarboxylic acid
  • (3R,5S)-5-hydroxynipecotic acid

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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.005 0.0153 0.0296
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Plasmodium falciparum protein kinase 7 0.0317 0.1462 0.3438
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0034 0.0075 0.011
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0078 0.0185
Mycobacterium ulcerans lipase LipD 0.0039 0.0096 0.0067
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.007 0.0248 0.022
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0065 0.0036
Loa Loa (eye worm) hypothetical protein 0.0135 0.0572 0.0555
Trypanosoma brucei glucosidase, putative 0.0039 0.0097 0.0162
Leishmania major basic transcription factor 3a, putative 0.0035 0.0078 0.0115
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0096 0.0067
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0096 0.016
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0873 0.4195 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Loa Loa (eye worm) bromodomain containing protein 0.0023 0.002 0.0001
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0166 0.0137
Loa Loa (eye worm) ICD-1 protein 0.0035 0.0078 0.0059
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0097 0.1868
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0099 0.0236
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0099 0.0167
Toxoplasma gondii NAC domain-containing protein 0.0035 0.0078 0.0115
Chlamydia trachomatis dihydrofolate reductase 0.2054 1 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0075 0.0057
Loa Loa (eye worm) isocitrate dehydrogenase 0.005 0.0153 0.0134
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0077 0.0115
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0247 0.1118 0.1108
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0077 0.1423
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.005 0.0153 0.0142
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0153 0.0124
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.003 0.0342
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0034 0.0075 0.011
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0202 0.0183
Brugia malayi mbt repeat family protein 0.0053 0.0166 0.0137
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0097 0.1868
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.0098 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0097 0.1868
Plasmodium falciparum mitogen-activated protein kinase 2 0.0181 0.0796 0.184
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0078 0.1425
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0128 0.0236
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0097 0.1868
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0077 0.1423
Schistosoma mansoni protein kinase 0.0034 0.0075 0.0057
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0077 0.0184
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0099 0.0167
Leishmania major glucose transporter, lmgt1 0.0035 0.0077 0.0115
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0072 0.0043
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 0.185
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0034 0.0075 0.0057
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.0098 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0097 0.9928
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0039 0.0096 0.0085
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0065 0.0036
Loa Loa (eye worm) dihydrofolate reductase 0.2054 1 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0077 0.0115
Loa Loa (eye worm) hypothetical protein 0.0078 0.0291 0.0273
Schistosoma mansoni glucose transport protein 0.0112 0.0457 0.0439
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0175 0.0765 0.0747
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0202 0.0173
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0077 0.1423
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.007 0.0248 0.022
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0099 0.0167
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Brugia malayi Isocitrate dehydrogenase 0.005 0.0153 0.0124
Echinococcus granulosus transcription factor btf3 0.0035 0.0078 0.0048
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.0231
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0208 0.0928 0.0901
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0128 0.0099
Mycobacterium tuberculosis Probable lipase LipE 0.0039 0.0096 0.0085
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.005 0.0153 0.0124
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0039 0.0096 0.0085
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0181 0.0796 0.184
Trichomonas vaginalis CAMK family protein kinase 0.0034 0.0075 0.1374
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Trichomonas vaginalis glucose transporter, putative 0.0035 0.0077 0.1423
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0072 0.6213
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0097 0.1868
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.005 0.0153 0.0296
Schistosoma mansoni glucose transport protein 0.0112 0.0457 0.0439
Mycobacterium tuberculosis Probable esterase LipL 0.0039 0.0096 0.0085
Schistosoma mansoni alpha-glucosidase 0.015 0.0645 0.0628
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0166 0.1461
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.003 0.0019
Brugia malayi Dihydrofolate reductase 0.2054 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 0.185
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0097 0.1868
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0096 0.0067
Loa Loa (eye worm) acetyltransferase 0.0147 0.0628 0.061
Plasmodium vivax hexose transporter 0.0112 0.0457 0.1026
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0153 0.0365
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0097 0.0162
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0077 0.1423
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0072 0.0053
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0181 0.0796 0.184
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0077 0.0115
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0099 0.0167
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0153 0.0296
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2054 1 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0476 0.2243 0.5313
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0077 0.0115
Plasmodium falciparum calcium-dependent protein kinase 1 0.0034 0.0075 0.011
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0202 0.0173
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0873 0.4195 1
Entamoeba histolytica protein kinase, putative 0.0034 0.0075 0.6715
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.003 0.0011
Onchocerca volvulus Huntingtin homolog 0.0135 0.0572 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0112 0.0457 0.0429
Plasmodium vivax calcium-dependent protein kinase, putative 0.0034 0.0075 0.011
Schistosoma mansoni bromodomain containing protein 0.0074 0.0268 0.025
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0096 0.0067
Onchocerca volvulus 0.0053 0.0166 0.1461
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0166 0.0147
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0034 0.0075 0.0046
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0202 0.0173
Brugia malayi Cam kinase protein 1 0.0034 0.0075 0.0046
Loa Loa (eye worm) hypothetical protein 0.0034 0.0072 0.0053
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0099 0.0236
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0034 0.0075 0.0046
Entamoeba histolytica protein kinase, putative 0.0034 0.0075 0.6715
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0873 0.4195 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0077 0.0184
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0096 0.0067
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0097 0.0068
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.0078 0.0115
Brugia malayi beta-NAC-like protein 0.0035 0.0078 0.0048
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Leishmania major glucose transporter, lmgt2 0.0035 0.0077 0.0115
Echinococcus multilocularis isocitrate dehydrogenase 0.005 0.0153 0.0124
Plasmodium falciparum protein kinase 6 0.0476 0.2243 0.5313
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0096 0.185
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Echinococcus granulosus geminin 0.0538 0.2548 0.2526
Brugia malayi Sugar transporter family protein 0.0112 0.0457 0.0429
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0097 0.0068
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0072 0.0043
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0208 0.0928 0.0901
Brugia malayi beta-lactamase 0.0039 0.0096 0.0067
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0166 0.0147
Brugia malayi Bromodomain containing protein 0.0086 0.0332 0.0303
Mycobacterium tuberculosis Conserved protein 0.0039 0.0096 0.0085
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0166 0.0147
Loa Loa (eye worm) beta-lactamase 0.0039 0.0096 0.0078
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0097 0.0078
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0166 0.0137
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0072 0.0042
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0128 0.2561
Schistosoma mansoni hypothetical protein 0.0538 0.2548 0.2534
Schistosoma mansoni hypothetical protein 0.0112 0.0457 0.0439
Echinococcus granulosus General substrate transporter 0.0096 0.038 0.0352
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0873 0.4195 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0096 0.0085
Trypanosoma cruzi hexose transporter 0.0035 0.0077 0.0184
Loa Loa (eye worm) hypothetical protein 0.0039 0.0096 0.0078
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0873 0.4195 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0175 0.0765 0.0738
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0202 0.0173
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.003 0.007
Brugia malayi beta-lactamase family protein 0.0039 0.0096 0.0067
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Loa Loa (eye worm) hypothetical protein 0.0051 0.0156 0.0137
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0077 0.0184
Onchocerca volvulus Huntingtin homolog 0.0135 0.0572 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0034 0.0075 0.0057
Trichomonas vaginalis esterase, putative 0.0039 0.0096 0.185
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0099 0.0167
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.005 0.0153 0.0296
Leishmania major protein kinase, putative 0.0034 0.0075 0.011
Schistosoma mansoni hypothetical protein 0.0321 0.1482 0.1466
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0147 0.0628 0.06
Entamoeba histolytica hypothetical protein 0.0035 0.0078 0.7049
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.0078 0.0115
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0147 0.0628 0.061
Loa Loa (eye worm) hypothetical protein 0.0135 0.0572 0.0555
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0166 0.0137
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0029 0.001
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0096 0.185
Brugia malayi acetyltransferase, GNAT family protein 0.0147 0.0628 0.06
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.0102 0.0073
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0153 0.0124
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0096 0.0078
Mycobacterium ulcerans hypothetical protein 0.0039 0.0096 0.0067
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0072 0.0061
Loa Loa (eye worm) hypothetical protein 0.0034 0.0072 0.0053
Plasmodium falciparum calcium-dependent protein kinase 3 0.0034 0.0075 0.011
Toxoplasma gondii facilitative glucose transporter GT1 0.0112 0.0457 0.1026
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0078 0.1425
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0096 0.016
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.0078 0.7049
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0072 0.0042
Brugia malayi mbt repeat family protein 0.0053 0.0166 0.0137
Echinococcus multilocularis General substrate transporter 0.0096 0.038 0.0352
Trichomonas vaginalis sugar transporter, putative 0.0035 0.0077 0.1423
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0166 0.0147
Schistosoma mansoni serine/threonine protein kinase 0.0034 0.0075 0.0057
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2054 1 1
Trypanosoma brucei glucose transporter 1E 0.0035 0.0077 0.0115
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0034 0.0075 0.011
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.0098 0.0163
Leishmania major glucose transporter, lmgt3 0.0035 0.0077 0.0115
Mycobacterium leprae Probable lipase LipE 0.0039 0.0096 0.0085
Loa Loa (eye worm) hypothetical protein 0.0025 0.003 0.0011
Mycobacterium tuberculosis Probable hydrolase 0.0039 0.0096 0.0085
Schistosoma mansoni glucose transport protein 0.0112 0.0457 0.0439
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.0102 0.0073
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0873 0.4195 1
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0153 0.0296
Schistosoma mansoni alpha glucosidase 0.0039 0.0097 0.0078
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0097 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0078 0.1425
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2054 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.0457 0.0429
Schistosoma mansoni alpha-glucosidase 0.015 0.0645 0.0628
Brugia malayi Bromodomain containing protein 0.0046 0.0132 0.0103
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0097 0.0068
Schistosoma mansoni protein kinase 0.0034 0.0075 0.0057
Plasmodium falciparum hexose transporter 0.0112 0.0457 0.1026
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0128 0.0236
Mycobacterium tuberculosis Conserved protein 0.0039 0.0096 0.0085
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0034 0.0075 0.011
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0128 0.0236
Trypanosoma brucei glucose transporter 2A 0.0035 0.0077 0.0115
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.0765 0.0738
Echinococcus multilocularis geminin 0.0538 0.2548 0.2526
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0096 0.0078
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0096 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0041 0.0022
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0072 0.1297
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.005 0.0153 0.0365
Plasmodium falciparum calcium-dependent protein kinase 5 0.0034 0.0075 0.011
Brugia malayi PHD-finger family protein 0.0031 0.0059 0.003
Mycobacterium tuberculosis Conserved protein 0.0039 0.0096 0.0085
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0128 0.2561
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0034 0.0075 0.011
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0099 0.0167
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0096 0.023
Loa Loa (eye worm) hypothetical protein 0.0049 0.0145 0.0127
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0096 0.185
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0039 0.0096 0.0085
Schistosoma mansoni dihydrofolate reductase 0.2054 1 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0072 0.0053
Leishmania major hypothetical protein, conserved 0.0039 0.0096 0.016
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0202 0.0173
Loa Loa (eye worm) sugar transporter 0.0112 0.0457 0.0439
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0097 0.1868
Trypanosoma brucei glucose transporter, putative 0.0035 0.0077 0.0115
Brugia malayi hypothetical protein 0.0135 0.0572 0.0544
Mycobacterium tuberculosis Probable lipase LipD 0.0039 0.0096 0.0085
Plasmodium falciparum calcium-dependent protein kinase 4 0.0034 0.0075 0.011
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Toxoplasma gondii ABC1 family protein 0.0039 0.0096 0.016
Echinococcus multilocularis transcription factor btf3 0.0035 0.0078 0.0048
Echinococcus granulosus dihydrofolate reductase 0.2054 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Schistosoma mansoni transcription factor btf3 0.0035 0.0078 0.0059
Plasmodium falciparum calcium-dependent protein kinase 2 0.0034 0.0075 0.011
Toxoplasma gondii protein kinase, putative 0.0317 0.1462 0.3438
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0034 0.0075 0.011
Loa Loa (eye worm) hypothetical protein 0.006 0.0202 0.0183
Echinococcus multilocularis lysosomal alpha glucosidase 0.0175 0.0765 0.0738
Loa Loa (eye worm) MBCTL1 0.006 0.0202 0.0183
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0166 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0077 0.1423
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0097 0.1868
Loa Loa (eye worm) hypothetical protein 0.0053 0.0166 0.0147
Toxoplasma gondii isocitrate dehydrogenase 0.005 0.0153 0.0296
Schistosoma mansoni protein kinase 0.0034 0.0075 0.0057
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0034 0.0075 0.011
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0097 0.1868
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.005 0.0153 0.0124
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0034 0.0075 0.0046
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0072 0.6213
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0096 0.0078
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.0078 0.0115
Echinococcus multilocularis zinc finger protein 0.0025 0.003 0.0001
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.0595 0.0567
Brugia malayi beta-lactamase family protein 0.0039 0.0096 0.0067
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.003 0.0011
Onchocerca volvulus 0.0101 0.0403 0.6443
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0097 0.9928
Echinococcus granulosus zinc finger protein 0.0025 0.003 0.0001
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.005 0.0153 0.0124
Schistosoma mansoni hypothetical protein 0.0538 0.2548 0.2534
Brugia malayi Glycosyl hydrolases family 31 protein 0.0175 0.0765 0.0737
Echinococcus multilocularis dihydrofolate reductase 0.2054 1 1
Brugia malayi isocitrate dehydrogenase 0.005 0.0153 0.0124
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0097 0.0231
Mycobacterium ulcerans beta-lactamase 0.0039 0.0096 0.0067
Trypanosoma brucei isocitrate dehydrogenase, putative 0.005 0.0153 0.0296
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0096 0.0067
Loa Loa (eye worm) hypothetical protein 0.0042 0.0115 0.0097
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.0078 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.0457 1
Schistosoma mansoni zinc finger protein 0.0025 0.003 0.0012
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.005 0.0153 0.0134

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptosomal membranes ChEMBL. 6292417
IC50 (binding) > 100 uM Inhibition of [3H]-GABA binding to Gamma-aminobutyric-acid receptor of rat brain synaptosomal membranes ChEMBL. 6292417
IC50 (functional) = 173 uM Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane ChEMBL. 6292417
IC50 (functional) = 173 uM Inhibition of high affinity neuronal GABA uptake by synaptosomes of rat brain membrane ChEMBL. 6292417
pKA (ADMET) = 3.5 pKA value of the compound was determined; Experiment 1 ChEMBL. 6292417
pKA (ADMET) = 8.9 pKA value of the compound was determined; Experiment 2 ChEMBL. 6292417

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.
 
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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.