Detailed information for compound 1120164

Basic information

Technical information
  • TDR Targets ID: 1120164
  • Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperi din-2-yl]-1-phenylethanol hydrochloride
  • MW: 375.932 | Formula: C22H30ClNO2
  • H donors: 2 H acceptors: 2 LogP: 4.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)CC1CCCC(N1C)CC(c1ccccc1)O.Cl
  • InChi: 1S/C22H29NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-22,24-25H,8,13-16H2,1H3;1H
  • InChiKey: IDPAEJSVXMLVBS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-2-piperidyl]-1-phenyl-ethanol hydrochloride
  • 2-[6-(2-hydroxy-2-phenylethyl)-1-methyl-2-piperidinyl]-1-phenylethanol hydrochloride
  • 2-[6-(2-hydroxy-2-phenyl-ethyl)-1-methyl-piperidin-2-yl]-1-phenyl-ethanol hydrochloride
  • 6112-86-3
  • alpha,alpha'-Diphenyl-1-methyl-2,6-piperidinediethanol hydrochloride
  • 1-Methyl-alpha,alpha'.-diphenylpiperidine-2,6-diethanol hydrochloride
  • 2,6-Piperidinediethanol, alpha,alpha'-diphenyl-1-methyl-, hydrochloride
  • EINECS 228-076-2
  • Lobelanidine hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA recognition motif domain containing 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
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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi RNA binding 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
Schistosoma mansoni tar DNA-binding 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0021 0.0017 0.0008
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0658 0.0642
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0211 0.0266
Loa Loa (eye worm) hypothetical protein 0.0032 0.0103 0.0087
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0042 0.0172 0.0185
Echinococcus granulosus 6 phosphogluconolactonase 0.0042 0.0172 0.0215
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0042 0.0172 0.0181
Loa Loa (eye worm) 6-phosphogluconolactonase 0.0042 0.0172 0.0156
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0123 0.0773 0.0743
Schistosoma mansoni ap endonuclease 0.0023 0.0032 0.0023
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0429 0.0413
Trypanosoma cruzi hypothetical protein, conserved 0.1068 0.7752 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0429 0.0429
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0188 0.1252 0.1237
Plasmodium falciparum hexokinase 0.1049 0.7611 1
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0075 0.0056
Loa Loa (eye worm) nuclear factor I 0.0032 0.0103 0.0087
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.1012 0.7336 0.9638
Onchocerca volvulus Serine\/threonine kinase homolog 0.0474 0.3367 0.4381
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0123 0.0773 0.1511
Echinococcus granulosus hexokinase type 2 0.1049 0.7611 1
Echinococcus multilocularis hexokinase 0.1049 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0179 0.0163
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0075 0.0055
Brugia malayi glucose-6-phosphate dehydrogenase 0.097 0.7028 0.7028
Brugia malayi Latrophilin receptor protein 2 0.0037 0.014 0.014
Mycobacterium ulcerans esterase/lipase LipP 0.0107 0.0658 0.0628
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0658 0.0628
Schistosoma mansoni smad 0.0026 0.0057 0.0049
Loa Loa (eye worm) hypothetical protein 0.0037 0.014 0.0124
Schistosoma mansoni smad 0.0059 0.0296 0.0288
Schistosoma mansoni kinase 0.0241 0.1644 0.1637
Echinococcus multilocularis geminin 0.072 0.5184 0.6807
Echinococcus multilocularis Smad4 0.0059 0.0296 0.0378
Trypanosoma cruzi hypothetical protein, conserved 0.1068 0.7752 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0474 0.3367 0.4319
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0429 0.0421
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0075 0.0059
Onchocerca volvulus 0.1049 0.7611 1
Echinococcus multilocularis hexokinase type 2 0.1049 0.7611 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0031 0.0029
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Loa Loa (eye worm) hexokinase 0.1049 0.7611 0.7607
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0634 0.4543 0.4526
Toxoplasma gondii ABC1 family protein 0.0107 0.0658 0.0825
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0634 0.4543 0.5952
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0075 0.0056
Mycobacterium tuberculosis Probable hydrolase 0.0107 0.0658 0.1277
Trypanosoma brucei hypothetical protein, conserved 0.1068 0.7752 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0026 0.0057 0.0064
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0658 0.0649
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0474 0.3367 0.3356
Echinococcus granulosus Smad4 0.0059 0.0296 0.0378
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.014 0.014
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.1012 0.7336 0.9638
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0075 0.0055
Brugia malayi Smad1 0.0059 0.0296 0.0296
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.097 0.7028 0.9063
Schistosoma mansoni hypothetical protein 0.0037 0.014 0.0131
Trichomonas vaginalis esterase, putative 0.0107 0.0658 0.0628
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0312 0.2169 0.2769
Schistosoma mansoni hypothetical protein 0.072 0.5184 0.518
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0321 0.2238 0.2858
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0658 0.0649
Echinococcus multilocularis GPCR, family 2 0.0037 0.014 0.0173
Brugia malayi beta-lactamase family protein 0.0107 0.0658 0.0658
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0042 0.0172 0.0192
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0296 0.2052 0.2052
Loa Loa (eye worm) hypothetical protein 0.0715 0.5148 0.514
Giardia lamblia Kinase, PLK 0.0474 0.3367 0.4565
Onchocerca volvulus 0.0107 0.0658 0.0795
Giardia lamblia Glucosamine-6-phosphate deaminase 0.0042 0.0172 0.0192
Onchocerca volvulus 0.1049 0.7611 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0474 0.3367 0.4319
Schistosoma mansoni hypothetical protein 0.0037 0.014 0.0131
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0125 0.079 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0059 0.0296 0.0378
Trypanosoma cruzi hexokinase, putative 0.1049 0.7611 0.9817
Schistosoma mansoni glucosamine-6-phosphate isomerase 0.0042 0.0172 0.0163
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0305 0.039
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0075 0.0055
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0123 0.0773 0.0959
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.097 0.7028 0.7026
Brugia malayi Pre-SET motif family protein 0.0208 0.1402 0.1402
Echinococcus multilocularis 6 phosphogluconolactonase 0.0042 0.0172 0.0215
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.097 0.7028 0.9234
Schistosoma mansoni ap endonuclease 0.0023 0.0032 0.0023
Leishmania major hypothetical protein, conserved 0.0028 0.0075 0.0055
Loa Loa (eye worm) MH1 domain-containing protein 0.0059 0.0296 0.028
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0085 0.01
Echinococcus multilocularis mothers against decapentaplegic 2 0.0026 0.0057 0.0064
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0123 0.0773 0.0959
Trichomonas vaginalis glutaminase, putative 0.1373 1 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0148 0.0131
Schistosoma mansoni 6-phosphogluconolactonase 0.0042 0.0172 0.0163
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0075 0.0055
Schistosoma mansoni smad1 5 8 and 0.0059 0.0296 0.0288
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1252 0.1635
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0032 0.0032
Schistosoma mansoni Smad4 0.0026 0.0057 0.0049
Trypanosoma cruzi hexokinase, putative 0.1049 0.7611 0.9817
Echinococcus granulosus tar DNA binding protein 0.0076 0.0429 0.0553
Loa Loa (eye worm) hypothetical protein 0.0028 0.0075 0.0058
Mycobacterium tuberculosis Conserved protein 0.0107 0.0658 0.1277
Schistosoma mansoni hypothetical protein 0.0145 0.0933 0.0925
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0211 0.0202
Echinococcus granulosus citrate lyase subunit beta protein 0.0123 0.0773 0.1005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0085 0.0076
Brugia malayi MH2 domain containing protein 0.0059 0.0296 0.0296
Onchocerca volvulus 0.0107 0.0658 0.0795
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Trypanosoma brucei hexokinase 0.1049 0.7611 0.9817
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.014 0.0173
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.013 0.0159
Echinococcus granulosus hexokinase 0.1049 0.7611 1
Schistosoma mansoni Smad4 0.0026 0.0057 0.0049
Brugia malayi MH1 domain containing protein 0.0032 0.0103 0.0103
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0658 0.7856
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.1012 0.7336 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0118 0.0736 0.0736
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0075 0.0056
Onchocerca volvulus 0.0237 0.1615 0.2061
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0429 0.0421
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0075 0.0087
Brugia malayi MH1 domain containing protein 0.0059 0.0296 0.0296
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0658 0.0628
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.097 0.7028 0.9231
Loa Loa (eye worm) hypothetical protein 0.0071 0.0387 0.0371
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0658 0.081
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0059 0.0296 0.0288
Mycobacterium ulcerans beta-lactamase 0.0107 0.0658 0.0628
Plasmodium vivax hexokinase, putative 0.1049 0.7611 1
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0261 0.1793 0.1767
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0075 0.0056
Echinococcus granulosus GPCR family 2 0.0037 0.014 0.0173
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0123 0.0773 0.0743
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Mycobacterium tuberculosis Conserved protein 0.0107 0.0658 0.1277
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0793 0.5723 0.7516
Loa Loa (eye worm) hypothetical protein 0.0047 0.0211 0.0194
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Schistosoma mansoni 6-phosphogluconolactonase 0.0042 0.0172 0.0163
Trypanosoma cruzi polo-like protein kinase, putative 0.0474 0.3367 0.4319
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0107 0.0658 0.1277
Brugia malayi MH1 domain containing protein 0.0032 0.0103 0.0103
Trypanosoma brucei beta lactamase 0.0125 0.079 0.0982
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0031 0.0022
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0658 0.0853
Brugia malayi hexokinase 0.1049 0.7611 0.7611
Entamoeba histolytica serine/threonine protein kinase, putative 0.0474 0.3367 0.44
Onchocerca volvulus 0.003 0.0085 0.0036
Leishmania major 6-phosphogluconolactonase 0.0042 0.0172 0.0181
Brugia malayi hypothetical protein 0.0028 0.0075 0.0075
Trypanosoma brucei 6-phosphogluconolactonase 0.0042 0.0172 0.0181
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.097 0.7028 0.9234
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0686 0.4932 1
Onchocerca volvulus Hexokinase homolog 0.0658 0.4724 0.6178
Loa Loa (eye worm) hypothetical protein 0.0334 0.2327 0.2314
Entamoeba histolytica hexokinase 2 0.1049 0.7611 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1252 0.1635
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1252 0.1244
Echinococcus multilocularis smad 0.0059 0.0296 0.0378
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.097 0.7028 0.7019
Toxoplasma gondii hexokinase 0.1049 0.7611 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0032 0.5
Trypanosoma cruzi 6-phosphogluconolactonase, putative 0.0042 0.0172 0.0181
Echinococcus granulosus TGF beta signal transducer SmadC 0.0059 0.0296 0.0378
Plasmodium falciparum flap endonuclease 1 0.0028 0.0075 0.0056
Echinococcus granulosus smad 0.0059 0.0296 0.0378
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0032 0.003
Schistosoma mansoni smad1 5 8 and 0.0059 0.0296 0.0288
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0075 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0085 0.0076
Mycobacterium leprae Probable lipase LipE 0.0107 0.0658 0.7856
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Schistosoma mansoni serine/threonine protein kinase 0.0474 0.3367 0.3361
Mycobacterium ulcerans hypothetical protein 0.0123 0.0773 0.0743
Loa Loa (eye worm) MH2 domain-containing protein 0.0859 0.6207 0.62
Onchocerca volvulus 0.1049 0.7611 1
Plasmodium vivax SET domain protein, putative 0.003 0.0085 0.007
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0077 0.0089
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0059 0.0296 0.0378
Brugia malayi PHD-finger family protein 0.0025 0.0048 0.0048
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0305 0.039
Schistosoma mansoni bromodomain containing protein 0.0063 0.0332 0.0323
Brugia malayi Bromodomain containing protein 0.0075 0.0418 0.0418
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0337 0.2349 0.4729
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1012 0.7336 0.7328
Loa Loa (eye worm) beta-lactamase 0.0107 0.0658 0.0642
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0211 0.0202
Brugia malayi beta-lactamase 0.0107 0.0658 0.0658
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0216 0.1456 0.1903
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0057 0.0041
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0125 0.079 0.1547
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0216 0.1456 0.1903
Trypanosoma brucei glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0181
Mycobacterium tuberculosis Conserved protein 0.0123 0.0773 0.1511
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0658 0.0628
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1252 0.1244
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0107 0.0658 0.1277
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0474 0.3367 0.4417
Mycobacterium ulcerans hypothetical protein 0.0123 0.0773 0.0743
Loa Loa (eye worm) hexokinase type II 0.1049 0.7611 0.7607
Loa Loa (eye worm) hypothetical protein 0.0296 0.2052 0.2039
Leishmania major glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0181
Leishmania major hexokinase, putative 0.1049 0.7611 0.9817
Brugia malayi 6-phosphogluconolactonase family protein 0.0042 0.0172 0.0172
Brugia malayi hypothetical protein 0.0145 0.0933 0.0933
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.1012 0.7336 0.7328
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.097 0.7028 0.7023
Echinococcus granulosus hexokinase 0.1049 0.7611 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0188 0.1252 0.1252
Mycobacterium ulcerans lipase LipD 0.0107 0.0658 0.0628
Onchocerca volvulus 0.0658 0.4724 0.6178
Entamoeba histolytica hypothetical protein 0.0145 0.0933 0.1189
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0085 0.007
Echinococcus granulosus hexokinase 0.1049 0.7611 1
Echinococcus granulosus flap endonuclease 1 0.0028 0.0075 0.0087
Mycobacterium tuberculosis Conserved protein 0.0107 0.0658 0.1277
Brugia malayi MH2 domain containing protein 0.0059 0.0296 0.0296
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0107 0.0658 0.1277
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0658 0.0825
Onchocerca volvulus 0.0107 0.0658 0.0795
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0474 0.3367 0.4417
Mycobacterium ulcerans glutaminase 0.1373 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0658 0.0628
Brugia malayi Hexokinase family protein 0.0658 0.4724 0.4724
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.014 0.0173
Mycobacterium tuberculosis Probable lipase LipE 0.0107 0.0658 0.1277
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.097 0.7028 0.9063
Echinococcus granulosus geminin 0.072 0.5184 0.6807
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0075 0.0043
Brugia malayi mothers against decapentaplegic homolog 3 0.0026 0.0057 0.0057
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0123 0.0773 0.0959
Brugia malayi Hexokinase family protein 0.1049 0.7611 0.7611
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0118 0.0736 0.0721
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0658 0.081
Trypanosoma brucei hexokinase 0.1049 0.7611 0.9817
Entamoeba histolytica hypothetical protein 0.0145 0.0933 0.1189
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0075 0.0056
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.097 0.7028 0.9063
Trypanosoma brucei hexokinase, putative 0.1049 0.7611 0.9817
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0145 0.0933 0.1216
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0261 0.1793 0.3594
Echinococcus multilocularis mothers against decapentaplegic 6 0.0026 0.0057 0.0064
Entamoeba histolytica hypothetical protein 0.0145 0.0933 0.1189
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.1012 0.7336 0.7328
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.097 0.7028 1
Schistosoma mansoni hypothetical protein 0.0037 0.014 0.0131
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0211 0.0266
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0032 0.003
Mycobacterium ulcerans 6-phosphogluconolactonase 0.0042 0.0172 0.0141
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0123 0.0773 0.0743
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0658 0.081
Schistosoma mansoni hypothetical protein 0.0037 0.014 0.0131
Brugia malayi Pre-SET motif family protein 0.003 0.0085 0.0085
Loa Loa (eye worm) glutaminase 0.1373 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.1252 0.1635
Schistosoma mansoni hypothetical protein 0.0081 0.0461 0.0452
Loa Loa (eye worm) hypothetical protein 0.0334 0.2327 0.2314
Entamoeba histolytica hypothetical protein 0.0145 0.0933 0.1189
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0658 0.0853
Brugia malayi Hexokinase family protein 0.0325 0.2261 0.2261
Brugia malayi MH2 domain containing protein 0.0026 0.0057 0.0057
Trichomonas vaginalis CAMK family protein kinase 0.0235 0.1598 0.1571
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0075 0.0055
Brugia malayi MH2 domain containing protein 0.0859 0.6207 0.6207
Schistosoma mansoni transcription factor LCR-F1 0.0145 0.0933 0.0925
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0031 0.0029
Schistosoma mansoni hypothetical protein 0.072 0.5184 0.518
Brugia malayi serine/threonine-protein kinase plk-2 0.0474 0.3367 0.3367
Schistosoma mansoni flap endonuclease-1 0.0026 0.0054 0.0046
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0181
Leishmania major hypothetical protein, conserved 0.1068 0.7752 1
Loa Loa (eye worm) hexokinase 0.1049 0.7611 0.7607
Entamoeba histolytica hexokinase 1 0.1049 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.0461 0.0445
Schistosoma mansoni hexokinase 0.1049 0.7611 0.7609
Brugia malayi TAR-binding protein 0.0076 0.0429 0.0429
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0429 0.0553
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0429 0.0421
Echinococcus multilocularis citrate lyase subunit beta protein 0.0123 0.0773 0.1005
Loa Loa (eye worm) hexokinase 0.0325 0.2261 0.2248
Mycobacterium ulcerans lipoprotein LpqF 0.0125 0.079 0.076
Brugia malayi RNA binding protein 0.0076 0.0429 0.0429
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0429 0.0413
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0123 0.0773 0.0743
Loa Loa (eye worm) Smad1 0.0059 0.0296 0.028
Mycobacterium tuberculosis Probable lipase LipD 0.0107 0.0658 0.1277
Echinococcus multilocularis hexokinase 0.1049 0.7611 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0165 0.0149
Trichomonas vaginalis set domain proteins, putative 0.0237 0.1615 0.1588
Trypanosoma brucei polo-like protein kinase 0.0474 0.3367 0.4319
Schistosoma mansoni glutaminase 0.1373 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.1252 0.1635
Trichomonas vaginalis CAMK family protein kinase 0.0235 0.1598 0.1571
Schistosoma mansoni smad1 5 8 and 0.0059 0.0296 0.0288
Loa Loa (eye worm) hypothetical protein 0.0026 0.0057 0.0041
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.014 0.0124
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0075 0.0056
Mycobacterium ulcerans hypothetical protein 0.0107 0.0658 0.0628
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0658 0.0628
Loa Loa (eye worm) transcription factor SMAD2 0.0859 0.6207 0.62
Echinococcus multilocularis hexokinase 0.1049 0.7611 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0032 0.0015
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0429 0.0421
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0658 0.0658
Loa Loa (eye worm) hexokinase 0.0658 0.4724 0.4715
Loa Loa (eye worm) MH2 domain-containing protein 0.0059 0.0296 0.028
Loa Loa (eye worm) RNA binding protein 0.0076 0.0429 0.0413
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0185
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0075 0.0056
Leishmania major hexokinase, putative 0.1049 0.7611 0.9817
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0107 0.0658 0.0628
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0145 0.0933 0.1216
Leishmania major hypothetical protein, conserved 0.0107 0.0658 0.081
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.1402 0.1388
Brugia malayi Bromodomain containing protein 0.0038 0.0147 0.0147
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.1012 0.7336 0.9638
Trichomonas vaginalis CAMK family protein kinase 0.0474 0.3367 0.3345
Schistosoma mansoni Smad4 0.0059 0.0296 0.0288
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0075 0.0055
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0057 0.0041
Echinococcus granulosus mothers against decapentaplegic 6 0.0026 0.0057 0.0064
Brugia malayi MH1 domain containing protein 0.0059 0.0296 0.0296
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0429 0.0421
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.1252 0.1244
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Brugia malayi glutaminase DH11.1 0.1373 1 1
Trypanosoma cruzi glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0181
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.013 0.0159
Brugia malayi latrophilin 2 splice variant baaae 0.0081 0.0461 0.0461
Treponema pallidum hexokinase (hxk) 0.1049 0.7611 1
Mycobacterium tuberculosis Probable esterase LipL 0.0107 0.0658 0.1277
Brugia malayi hexokinase type II 0.0334 0.2327 0.2327
Echinococcus granulosus mothers against decapentaplegic 5 0.0059 0.0296 0.0378
Brugia malayi beta-lactamase family protein 0.0107 0.0658 0.0658
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0042 0.0172 0.0141
Loa Loa (eye worm) hypothetical protein 0.0107 0.0658 0.0642
Brugia malayi Flap endonuclease-1 0.0028 0.0075 0.0075

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.92 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (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, 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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