Detailed information for compound 347647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 441.513 | Formula: C25H29F2N3O2
  • H donors: 2 H acceptors: 2 LogP: 3.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CNC(=O)C21CCN(CC2)[C@@H]1CCCC[C@@]1(O)c1ccc(cc1)F
  • InChi: 1S/C25H29F2N3O2/c26-19-6-4-18(5-7-19)25(32)12-2-1-3-22(25)29-15-13-24(14-16-29)23(31)28-17-30(24)21-10-8-20(27)9-11-21/h4-11,22,32H,1-3,12-17H2,(H,28,31)/t22-,25-/m1/s1
  • InChiKey: RMOCKQNODIYQGC-RCZVLFRGSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens opioid receptor, mu 1 Starlite/ChEMBL References
Homo sapiens opiate receptor-like 1 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter, glycine), member 9 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent proline transporter, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus multilocularis sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum Sodium- and chloride-dependent glycine transporter 1, putative Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128673 All targets in OG5_128673
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Get druggable targets OG5_128673 All targets in OG5_128673
Echinococcus granulosus sodium and chloride dependent glycine Get druggable targets OG5_128673 All targets in OG5_128673
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis growth hormone secretagogue receptor type 1 opiate receptor-like 1 370 aa 349 aa 22.1 %
Echinococcus multilocularis serotonin transporter solute carrier family 6 (neurotransmitter transporter, glycine), member 9 633 aa 616 aa 38.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0019 0.0000074631 0.0000074631
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0139 0.073
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.1565 0.8189
Giardia lamblia Pyruvate kinase 0.0033 0.0184 0.0532
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0184 0.0514
Brugia malayi Cytochrome P450 family protein 0.0019 0.0007 0.0013
Echinococcus multilocularis 0.0046 0.0345 0.0345
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.0536 0.2802
Trichomonas vaginalis set domain proteins, putative 0.0234 0.2753 0.7974
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0184 0.0514
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0005 0.0009
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.0133 0.0386
Echinococcus multilocularis epidermal growth factor receptor 0.0079 0.0774 0.0774
Schistosoma mansoni tyrosine kinase 0.0079 0.0774 0.4051
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0299 0.0835
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0005 0.0005
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0281 0.147
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1135 0.5938
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0281 0.0786
Schistosoma mansoni hypothetical protein 0.0124 0.1352 0.7074
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.1135 0.1135
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0168 0.1911 0.5345
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.1565 0.4687
Echinococcus multilocularis insulin receptor 0.0047 0.0364 0.0364
Brugia malayi polk-prov protein 0.0031 0.0155 0.0289
Brugia malayi Furin-like cysteine rich region family protein 0.0147 0.1645 0.3073
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.1135 0.3287
Schistosoma mansoni thyroid hormone receptor 0.0134 0.148 0.7741
Echinococcus multilocularis Protein lozenge 0.0055 0.0464 0.0464
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1135 0.3287
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0168 0.1911 0.5861
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0184 0.0961
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0505 0.1129
Echinococcus granulosus phosphoglycerate kinase 1 0.0168 0.1911 0.4271
Trypanosoma brucei phosphoglycerate kinase 0.0168 0.1911 0.5345
Chlamydia trachomatis pyruvate kinase 0.0033 0.0184 0.0961
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0005 0.0005
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0107 0.1135 0.3227
Schistosoma mansoni carbonic anhydrase-related 0.006 0.0531 0.2777
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0529 0.2769
Leishmania major cytochrome p450-like protein 0.0019 0.0007 0.002
Loa Loa (eye worm) phosphofructokinase 0.0107 0.1135 0.2119
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1567 0.4383
Entamoeba histolytica phosphoglycerate kinase, putative 0.0168 0.1911 0.5536
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Brugia malayi Pre-SET motif family protein 0.0206 0.239 0.4464
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0005 0.0024
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0299 0.0835
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0536 0.2802
Schistosoma mansoni tyrosine kinase 0.0078 0.0764 0.3995
Brugia malayi Phosphoglycerate kinase 0.0062 0.0551 0.103
Loa Loa (eye worm) hypothetical protein 0.0029 0.0139 0.026
Loa Loa (eye worm) runx1 0.0055 0.0464 0.0867
Echinococcus multilocularis pyruvate kinase 0.0033 0.0184 0.0184
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0011 0.0026
Chlamydia trachomatis phosphoglycerate kinase 0.0168 0.1911 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0011 0.0011
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0983 0.0983
Toxoplasma gondii hypothetical protein 0.006 0.0531 0.2777
Entamoeba histolytica hypothetical protein 0.0019 0.0005 0.0013
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.006 0.0531 0.0991
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Brugia malayi hypothetical protein 0.0019 0.0011 0.0021
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0438 0.5354 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0139 0.073
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0299 0.0835
Loa Loa (eye worm) hypothetical protein 0.0438 0.5354 1
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.1135 0.5938
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.1352 0.3021
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.006 0.0531 0.0991
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0184 0.0514
Brugia malayi hypothetical protein 0.0019 0.0011 0.0021
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0155 0.0433
Schistosoma mansoni pyruvate kinase 0.0033 0.0184 0.0961
Entamoeba histolytica hypothetical protein 0.0019 0.0005 0.0013
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0529 0.1182
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.006 0.0531 0.0991
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0551 0.1542
Loa Loa (eye worm) hypothetical protein 0.006 0.0531 0.0991
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0005 0.001
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0139 0.0139
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0005 0.0024
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0005 0.0024
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.3452 1
Echinococcus granulosus carbonic anhydrase II 0.006 0.0531 0.1186
Schistosoma mansoni carbonic anhydrase-related 0.006 0.0531 0.2777
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0505 0.2643
Echinococcus granulosus RUN 0.0019 0.0011 0.0026
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Schistosoma mansoni lipoxygenase 0.0117 0.1252 0.6548
Echinococcus multilocularis phosphoglycerate kinase 1 0.0168 0.1911 0.1911
Schistosoma mansoni rab6-interacting 0.0019 0.0011 0.006
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0371 0.0694
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Echinococcus granulosus survival motor neuron protein 1 0.0234 0.2748 0.6141
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0091 0.0478
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0529 0.2769
Echinococcus granulosus pyruvate kinase 0.0033 0.0184 0.0411
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0168 0.1911 0.5536
Treponema pallidum fructose-bisphosphate aldolase 0.0289 0.3452 1
Schistosoma mansoni tyrosine kinase 0.0047 0.0364 0.1906
Schistosoma mansoni hypothetical protein 0.0109 0.1157 0.6051
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0536 0.0536
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Brugia malayi 6-phosphofructokinase 0.0107 0.1135 0.2119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0139 0.073
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0281 0.147
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.1565 0.8189
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Loa Loa (eye worm) hypothetical protein 0.006 0.0531 0.0991
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0091 0.0255
Brugia malayi Doublecortin family protein 0.0019 0.0011 0.0021
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0983 0.5143
Brugia malayi hypothetical protein 0.0019 0.0005 0.0009
Schistosoma mansoni thyroid hormone receptor 0.0134 0.148 0.7741
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0007 0.0013
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0047 0.0364 0.0364
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0139 0.073
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0096 0.0983 0.1836
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0005 0.001
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0133 0.0697
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Schistosoma mansoni pyruvate kinase 0.0033 0.0184 0.0961
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.006 0.0531 0.1485
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0983 0.2197
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0047 0.0364 0.0814
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0289 0.3452 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0529 0.2769
Echinococcus multilocularis serotonin transporter 0.0019 0.0000074631 0.0000074631
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Loa Loa (eye worm) TK/EGFR protein kinase 0.0147 0.1645 0.3073
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0005 0.0024
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3575 1
Schistosoma mansoni hypothetical protein 0.0019 0.0011 0.006
Leishmania major pyruvate kinase 0.0033 0.0184 0.0514
Plasmodium falciparum phosphoglycerate kinase 0.0168 0.1911 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0029 0.0133 0.0697
Leishmania major phosphoglycerate kinase B, cytosolic 0.0168 0.1911 0.5345
Brugia malayi Protein kinase domain containing protein 0.0047 0.0364 0.068
Brugia malayi phosphofructokinase 0.0107 0.1135 0.2119
Trypanosoma brucei RNA helicase, putative 0.0109 0.1157 0.3235
Echinococcus granulosus carbonic anhydrase 0.006 0.0531 0.1186
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.1135 0.3174
Mycobacterium tuberculosis Conserved hypothetical protein 0.0157 0.1771 0.9266
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0005 0.0005
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0184 0.0343
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Giardia lamblia Phosphoglycerate kinase 0.0168 0.1911 0.5536
Echinococcus multilocularis carbonic anhydrase II 0.006 0.0531 0.0531
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0184 0.0961
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0005 0.0005
Echinococcus multilocularis epidermal growth factor receptor 0.0147 0.1645 0.1645
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0281 0.0814
Echinococcus multilocularis sodium and chloride dependent glycine 0.0096 0.0983 0.0983
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0139 0.073
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0029 0.015
Leishmania major mitochondrial DNA polymerase beta 0.0298 0.3575 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0529 0.148
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0168 0.1911 0.5536
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Plasmodium falciparum carbonic anhydrase 0.006 0.0531 0.2777
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0139 0.0139
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.0536 0.2802
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0056 0.0163
Toxoplasma gondii phosphofructokinase PFKII 0.0029 0.0133 0.0697
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0133 0.0697
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0298 0.3575 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1135 0.3174
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.006 0.0531 0.2777
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0298 0.3575 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0281 0.0786
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0005 0.0009
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0029 0.008
Echinococcus granulosus dna polymerase kappa 0.0041 0.0281 0.0628
Echinococcus multilocularis carbonic anhydrase 0.006 0.0531 0.0531
Brugia malayi jmjC domain containing protein 0.0058 0.0505 0.0943
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0005 0.0009
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0168 0.1911 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0281 0.0814
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Schistosoma mansoni hypothetical protein 0.0048 0.0371 0.1944
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0005 0.0024
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.0536 0.2802
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0184 0.0343
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.006 0.0531 0.0991
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0005 0.0009
Schistosoma mansoni tyrosine kinase 0.0147 0.1645 0.8609
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0029 0.0133 0.0697
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0005 0.0005
Echinococcus multilocularis carbonic anhydrase 0.006 0.0531 0.0531
Plasmodium vivax phosphoglycerate kinase, putative 0.0168 0.1911 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.1252 0.1252
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0005 0.001
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0198 0.0553
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.148 0.148
Echinococcus granulosus insulin receptor 0.0047 0.0364 0.0814
Schistosoma mansoni flap endonuclease-1 0.0023 0.006 0.0313
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1135 0.3287
Brugia malayi PXA domain containing protein 0.0019 0.0005 0.0009
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.006 0.0531 0.1485
Loa Loa (eye worm) hypothetical protein 0.0234 0.2748 0.5132
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0005 0.0024
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0019 0.0000074631 0.0000074631
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Echinococcus multilocularis expressed protein 0.0369 0.4475 0.4475
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.1352 0.1352
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0005 0.0009
Brugia malayi 6-phosphofructokinase 0.0107 0.1135 0.2119
Echinococcus granulosus flap endonuclease 1 0.0026 0.0091 0.0204
Plasmodium falciparum flap endonuclease 1 0.0026 0.0091 0.0478
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0168 0.1911 1
Brugia malayi hypothetical protein 0.0234 0.2748 0.5132
Schistosoma mansoni tyrosine kinase 0.0078 0.0764 0.3995
Onchocerca volvulus 0.0019 0.0011 0.0021
Onchocerca volvulus 0.0048 0.0371 0.0694
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0029 0.0133 0.0386
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0005 0.0005
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0005 0.0009
Onchocerca volvulus 0.0029 0.0139 0.026
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0005 0.001
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0281 0.0281
Giardia lamblia DINP protein human, muc B family 0.0021 0.0029 0.0083
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.239 0.4464
Trypanosoma brucei unspecified product 0.0034 0.0198 0.0553
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0011 0.0026
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.006 0.0531 0.2777
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0005 0.0005
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1135 0.2119
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0416 0.1163
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0551 0.1542
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0005 0.0013
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0005 0.0024
Toxoplasma gondii 6-phosphofructokinase 0.0029 0.0133 0.0697
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0091 0.0265
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0299 0.0835
Schistosoma mansoni tyrosine kinase 0.0079 0.0774 0.4051
Giardia lamblia Fructose-bisphosphate aldolase 0.0289 0.3452 1
Brugia malayi jmjC domain containing protein 0.0058 0.0505 0.0943
Leishmania major phosphoglycerate kinase C, glycosomal 0.0168 0.1911 0.5345
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0007 0.002
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0505 0.2643
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0505 0.2643
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0184 0.0532
Brugia malayi PXA domain containing protein 0.0019 0.0005 0.0009
Brugia malayi Cytochrome P450 family protein 0.0019 0.0007 0.0013
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.006 0.0531 0.0991
Onchocerca volvulus 0.0234 0.2753 0.5142
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1567 0.4383
Loa Loa (eye worm) hypothetical protein 0.0023 0.0056 0.0105
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0184 0.0961
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1135 0.3287
Schistosoma mansoni loxhd1 0.0019 0.0011 0.006
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0011 0.0011
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0139 0.0312
Brugia malayi Putative carbonic anhydrase 5 precursor 0.006 0.0531 0.0991
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0168 0.1911 0.5345
Echinococcus granulosus epidermal growth factor receptor 0.0079 0.0774 0.173
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0019 0.0000074631 0.0000074631
Loa Loa (eye worm) TK/INSR protein kinase 0.0047 0.0364 0.068
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Treponema pallidum methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-1) 0.0264 0.3131 0.9069
Toxoplasma gondii hypothetical protein 0.0048 0.0378 0.1975
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0529 0.0529
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0505 0.1129
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0091 0.0255
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0011 0.006
Echinococcus granulosus expressed protein 0.0369 0.4475 1
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Schistosoma mansoni rab6-interacting 0.0019 0.0011 0.006
Echinococcus granulosus carbonic anhydrase 0.006 0.0531 0.1186
Onchocerca volvulus 0.0438 0.5354 1
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0184 0.0343
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0011 0.0026
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.1135 0.2119
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.0095 0.0095
Treponema pallidum phosphoglycerate kinase 0.0168 0.1911 0.5536
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1135 0.3287
Echinococcus multilocularis survival motor neuron protein 1 0.0234 0.2748 0.2748
Loa Loa (eye worm) hypothetical protein 0.0168 0.1911 0.3569
Leishmania major pyruvate kinase 0.0033 0.0184 0.0514
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.0133 0.0386
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0096 0.0983 0.1836
Schistosoma mansoni hypothetical protein 0.006 0.0531 0.2777
Loa Loa (eye worm) hypothetical protein 0.006 0.0531 0.0991
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.006 0.0531 0.0991
Mycobacterium ulcerans hypothetical protein 0.0157 0.1771 0.9266
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.1135 0.3287
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0184 0.0514
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0056 0.0105
Mycobacterium ulcerans phosphoglycerate kinase 0.0168 0.1911 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0079 0.0774 0.173
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0091 0.0255
Brugia malayi Flap endonuclease-1 0.0026 0.0091 0.0171
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.1135 0.3174
Echinococcus multilocularis carbonic anhydrase 0.006 0.0531 0.0531
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0005 0.0009
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0139 0.073
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1135 0.3287
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0184 0.0343
Schistosoma mansoni sodium/chloride dependent transporter 0.0096 0.0983 0.5143
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0184 0.0343
Loa Loa (eye worm) hypothetical protein 0.0019 0.0011 0.0021
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0168 0.1911 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0126 0.0281
Echinococcus granulosus carbonic anhydrase 0.006 0.0531 0.1186
Loa Loa (eye worm) carbonic anhydrase 3 0.006 0.0531 0.0991
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0005 0.0024
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0529 0.2769
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0536 0.1197
Schistosoma mansoni lipoxygenase 0.0081 0.0803 0.4204
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0133 0.0697
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.0536 0.1498
Schistosoma mansoni carbonic anhydrase-related 0.006 0.0531 0.2777
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0091 0.0265
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0005 0.0024
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0505 0.0943
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0529 0.2769
Echinococcus multilocularis pyruvate kinase 0.0033 0.0184 0.0184
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0005 0.0005
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0005 0.001
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0529 0.2769
Leishmania major carbonic anhydrase-like protein 0.006 0.0531 0.1485
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0091 0.0171
Schistosoma mansoni polycystin 1-related 0.0019 0.0011 0.006
Entamoeba histolytica hypothetical protein 0.0019 0.0005 0.0013
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0007 0.0013
Loa Loa (eye worm) hypothetical protein 0.0096 0.0983 0.1836
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.1252 0.2797
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0551 0.1542
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0281 0.0786
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.006 0.0531 0.0991
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0007 0.002
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Brugia malayi Phosphoglycerate kinase 0.0168 0.1911 0.3569
Loa Loa (eye worm) hypothetical protein 0.0096 0.0983 0.1836
Schistosoma mansoni phosphoglycerate kinase 0.0168 0.1911 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.1135 0.2536
Brugia malayi hypothetical protein 0.0019 0.0005 0.0009
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0289 0.3452 1
Treponema pallidum methylgalactoside ABC transporter, periplasmic galactose-binding protein (mglB-2) 0.0264 0.3131 0.9069
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0184 0.0343
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0184 0.0343
Schistosoma mansoni tyrosine kinase 0.0078 0.0764 0.3995
Schistosoma mansoni carbonic anhydrase 0.006 0.0531 0.2777
Plasmodium falciparum pyruvate kinase 0.0033 0.0184 0.0961
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0011 0.0011
Schistosoma mansoni tyrosine kinase 0.0047 0.0364 0.1906
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0011 0.006
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0005 0.0013
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0091 0.0478
Mycobacterium leprae Possible D-ribose-binding protein 0.0264 0.3131 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.0133 0.0386
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0005 0.0024
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.0536 0.1
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0005 0.001
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0005 0.0009
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.006 0.0531 0.0991
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0011 0.0021
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0007 0.0013
Schistosoma mansoni survival motor neuron protein 0.0048 0.0371 0.1944
Echinococcus granulosus epidermal growth factor receptor 0.0147 0.1645 0.3677
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.1135 0.5938
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0005 0.0024
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0005 0.0005
Onchocerca volvulus 0.0019 0.0011 0.0021
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0005 0.0005
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0184 0.0343
Trypanosoma brucei phosphoglycerate kinase 0.0168 0.1911 0.5345
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0091 0.0091
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0005 0.0009
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0005 0.0009
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0005 0.0024
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0029 0.008
Brugia malayi hypothetical protein 0.0438 0.5354 1
Echinococcus multilocularis RUN 0.0019 0.0011 0.0011
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0005 0.0009
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.1135 0.3287
Loa Loa (eye worm) hypothetical protein 0.0019 0.0011 0.0021
Loa Loa (eye worm) hypothetical protein 0.0019 0.0005 0.0009
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0529 0.2769
Leishmania major DNA polymerase kappa, putative 0.0021 0.0029 0.008
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0091 0.0265
Trypanosoma brucei carbonic anhydrase-like protein 0.006 0.0531 0.1485
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0168 0.1911 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.1567 0.4383
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0005 0.0024
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0007 0.0038
Echinococcus granulosus sodium and chloride dependent glycine 0.0096 0.0983 0.2197
Schistosoma mansoni lozenge 0.0055 0.0464 0.2428
Brugia malayi Pre-SET motif family protein 0.0029 0.0139 0.026
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0005 0.001
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0107 0.1135 0.5938
Loa Loa (eye worm) hypothetical protein 0.0031 0.0155 0.0289
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0505 0.0505
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0184 0.0961
Schistosoma mansoni phosphoglycerate kinase 0.0168 0.1911 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0155 0.0433
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0029 0.0133 0.0697
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0133 0.0386
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0033 0.0184 0.0343
Plasmodium vivax 6-phosphofructokinase, putative 0.0029 0.0133 0.0697
Echinococcus granulosus pyruvate kinase 0.0033 0.0184 0.0411
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0505 0.0505
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0184 0.0532
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0007 0.002
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0005 0.0024
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0438 0.0818

Activities

Activity type Activity value Assay description Source Reference
CL (ADMET) = 92 uL/min.mg Clearance in human microsomes ChEMBL. 16246561
CL (ADMET) = 102 uL/min.mg Clearance in mouse microsomes ChEMBL. 16246561
CL (ADMET) = 102 uL/min.mg Clearance in mouse microsomes ChEMBL. 16246561
EC50 (binding) = 0.024 uM Displacement of [3H]glycine from human GlyT1 by radiometric assay ChEMBL. 16246561
EC50 (binding) = 0.024 uM Displacement of [3H]glycine from human GlyT1 by radiometric assay ChEMBL. 16246561
EC50 (binding) = 36 uM Displacement of [3H]glycine from human GlyT2 by radiometric assay ChEMBL. 16246561
EC50 (binding) = 36 uM Displacement of [3H]glycine from human GlyT2 by radiometric assay ChEMBL. 16246561
IC50 (binding) = 4 uM Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells ChEMBL. 16246561
IC50 (binding) = 4 uM Displacement of [3H]naloxone from human mu opioid receptor expressed in BHK cells ChEMBL. 16246561
IC50 (binding) = 10 uM Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells ChEMBL. 16246561
IC50 (binding) = 10 uM Displacement of [3H]NOP from human NOP receptor expressed in HEK293 cells ChEMBL. 16246561

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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