Detailed information for compound 76357

Basic information

Technical information
  • TDR Targets ID: 76357
  • Name: 9-[(4-fluorophenyl)methylamino]-1,2,3,4-tetra hydroacridin-1-ol
  • MW: 322.376 | Formula: C20H19FN2O
  • H donors: 2 H acceptors: 2 LogP: 3.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNc1c2C(O)CCCc2nc2c1cccc2
  • InChi: 1S/C20H19FN2O/c21-14-10-8-13(9-11-14)12-22-20-15-4-1-2-5-16(15)23-17-6-3-7-18(24)19(17)20/h1-2,4-5,8-11,18,24H,3,6-7,12H2,(H,22,23)
  • InChiKey: APOMRWXYQSHYMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-[(4-fluorobenzyl)amino]-1,2,3,4-tetrahydroacridin-1-ol
  • 104628-30-0
  • 1,2,3,4-Tetrahydro-9-(((4-fluorophenyl)methyl)amino)-1-acridinol
  • 1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-fluorophenyl)methyl)amino)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin transporter Starlite/ChEMBL References
Rattus norvegicus Norepinephrine transporter Starlite/ChEMBL References
Rattus norvegicus Acetylcholinesterase Starlite/ChEMBL References
Rattus norvegicus Dopamine transporter Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Sodium:neurotransmitter symporter family protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K01049 acetylcholinesterase [EC3.1.1.7], putative Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) carboxylesterase Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Carboxylesterase family protein Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) acetylcholinesterase 1 Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus carboxylesterase 5A Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) serotonin transporter b Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni sodium/chloride dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma mansoni norepinephrine/norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus granulosus serotonin transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Acetylcholinesterase 1 precursor, putative Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Echinococcus granulosus acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Loa Loa (eye worm) norepinephrine transporter Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Echinococcus multilocularis acetylcholinesterase Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Schistosoma japonicum Sodium-dependent noradrenaline transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126875 All targets in OG5_126875
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus BC026374 protein S09 family Acetylcholinesterase   614 aa 642 aa 34.1 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 529 aa 41.6 %
Loa Loa (eye worm) hypothetical protein Norepinephrine transporter   597 aa 551 aa 25.0 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.5 %
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter Norepinephrine transporter   597 aa 549 aa 41.9 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 573 aa 30.5 %
Echinococcus granulosus sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Neospora caninum sodium-dependent transporter, putative Norepinephrine transporter   597 aa 507 aa 30.4 %
Onchocerca volvulus Putative nuclear protein Acetylcholinesterase   614 aa 577 aa 40.7 %
Onchocerca volvulus Molybdopterin synthase catalytic subunit homolog Acetylcholinesterase   614 aa 564 aa 29.8 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 508 aa 32.7 %
Drosophila melanogaster CG13796 gene product from transcript CG13796-RD Norepinephrine transporter   597 aa 569 aa 24.8 %
Brugia malayi Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 581 aa 34.6 %
Onchocerca volvulus Norepinephrine transporter   597 aa 540 aa 46.3 %
Onchocerca volvulus Carnitine O-palmitoyltransferase 2, mitochondrial homolog Acetylcholinesterase   614 aa 531 aa 39.7 %
Onchocerca volvulus Norepinephrine transporter   597 aa 554 aa 38.6 %
Plasmodium knowlesi transporter, putative Serotonin transporter   630 aa 514 aa 20.2 %
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative Norepinephrine transporter   597 aa 579 aa 22.1 %
Onchocerca volvulus Acetylcholinesterase   614 aa 632 aa 25.6 %
Onchocerca volvulus Norepinephrine transporter   597 aa 570 aa 38.6 %
Onchocerca volvulus Acetylcholinesterase   614 aa 583 aa 30.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 595 aa 34.0 %
Schistosoma japonicum ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative Norepinephrine transporter   597 aa 501 aa 39.7 %
Drosophila melanogaster CG10175 gene product from transcript CG10175-RE Acetylcholinesterase   614 aa 547 aa 32.5 %
Onchocerca volvulus Acetylcholinesterase   614 aa 581 aa 27.0 %
Onchocerca volvulus Norepinephrine transporter   597 aa 548 aa 24.8 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 529 aa 42.0 %
Echinococcus multilocularis sodium and chloride dependent glycine Norepinephrine transporter   597 aa 507 aa 38.9 %
Schistosoma japonicum ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative Norepinephrine transporter   597 aa 545 aa 41.7 %
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 579 aa 35.1 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 570 aa 25.4 %
Plasmodium yoelii hypothetical protein Norepinephrine transporter   597 aa 478 aa 19.7 %
Plasmodium vivax hypothetical protein, conserved Serotonin transporter   630 aa 528 aa 21.2 %
Schistosoma mansoni sodium/chloride dependent transporter Norepinephrine transporter   597 aa 534 aa 41.0 %
Brugia malayi Carboxylesterase family protein Acetylcholinesterase   614 aa 507 aa 26.4 %
Drosophila melanogaster CG1698 gene product from transcript CG1698-RA Norepinephrine transporter   597 aa 513 aa 38.4 %
Echinococcus multilocularis neuroligin Acetylcholinesterase   614 aa 496 aa 24.0 %
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) Acetylcholinesterase   614 aa 602 aa 24.3 %
Plasmodium vivax amine transporter, putative Norepinephrine transporter   597 aa 483 aa 21.1 %
Echinococcus multilocularis BC026374 protein (S09 family) Acetylcholinesterase   614 aa 642 aa 34.0 %
Onchocerca volvulus High affinity copper uptake protein 1 homolog Norepinephrine transporter   597 aa 551 aa 47.4 %
Loa Loa (eye worm) hypothetical protein Acetylcholinesterase   614 aa 574 aa 24.0 %
Toxoplasma gondii Sodium:neurotransmitter symporter family protein Norepinephrine transporter   597 aa 522 aa 22.0 %
Onchocerca volvulus Transmembrane protein 120 homolog Norepinephrine transporter   597 aa 577 aa 34.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.005 0.0034 0.0696
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.1419
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.0333 0.7204
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.0059 0.1286
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.0696
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0004 0.0053
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0034 0.0737
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0091 0.1935
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0034 0.0737
Echinococcus multilocularis thioredoxin glutathione reductase 0.005 0.0034 0.0704
Echinococcus multilocularis serotonin transporter 0.0292 0.0462 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0033 0.0004 0.0053
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0113 0.0146 0.0132
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0083 0.0093 0.2322
Brugia malayi dihydrofolate reductase family protein 0.0046 0.0028 0.0564
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0042 0.097
Onchocerca volvulus 0.0292 0.0462 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.018 0.0265 0.1393
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.0462 0.9765
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0034 0.0737
Plasmodium vivax amine transporter, putative 0.005 0.0034 0.1419
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0034 0.0696
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.0059 0.1247
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0297 0.0471 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0114 0.0147 0.0133
Mycobacterium tuberculosis Probable reductase 0.0114 0.0147 0.0133
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0034 0.0737
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0004 0.0053
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0093 0.3976
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.0228 1
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0083 0.0093 0.4041
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0083 0.0093 0.1983
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5698 1 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0082 0.0091 0.1935
Mycobacterium ulcerans thymidylate synthase 0.0113 0.0146 0.0142
Loa Loa (eye worm) glutathione reductase 0.005 0.0034 0.0704
Loa Loa (eye worm) thioredoxin reductase 0.005 0.0034 0.0704
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.018 0.0265 0.535
Brugia malayi Carboxylesterase family protein 0.0082 0.0091 0.1935
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0083 0.0093 0.1983
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0228 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0114 0.0147 0.0133
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0034 0.0696
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0034 0.0696
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.0059 0.2461
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0046 0.0028 0.0014
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0034 0.0696
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.0696
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0126 0.0169 0.0156
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0114 0.0147 0.0133
Mycobacterium ulcerans glycosyltransferase 0.0038 0.0014 0.001
Plasmodium vivax glutathione reductase, putative 0.005 0.0034 0.1436
Plasmodium vivax cysteine--tRNA ligase, putative 0.0083 0.0093 0.4041
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0093 0.3976
Echinococcus granulosus carboxylesterase 5A 0.0082 0.0091 0.1971
Echinococcus granulosus acetylcholinesterase 0.0082 0.0091 0.1971
Onchocerca volvulus 0.0083 0.0093 0.1983
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5698 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0042 0.1662
Loa Loa (eye worm) thymidylate synthase 0.0113 0.0146 0.3136
Plasmodium falciparum transporter, putative 0.005 0.0034 0.1326
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0034 0.0137
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0781 0.1325 0.1313
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0781 0.1325 1
Echinococcus granulosus leucyl tRNA synthetase 0.0083 0.0093 0.2018
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0297 0.0471 1
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0034 0.0696
Brugia malayi hypothetical protein 0.0054 0.0042 0.0859
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0002 0.0044
Echinococcus granulosus serotonin transporter 0.0292 0.0462 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.0696
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Echinococcus multilocularis carboxylesterase 5A 0.0082 0.0091 0.1935
Trypanosoma cruzi trypanothione reductase, putative 0.005 0.0034 0.1343
Loa Loa (eye worm) hypothetical protein 0.0083 0.0093 0.1983
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.018 0.0166
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0126 0.0169 0.0156
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0059 0.0055
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0114 0.0147 0.0133
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0034 0.0696
Onchocerca volvulus 0.0249 0.0387 0.8366
Loa Loa (eye worm) hypothetical protein 0.0292 0.0462 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.0228 1
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0083 0.0093 0.3976
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0113 0.0146 0.0132
Loa Loa (eye worm) hypothetical protein 0.0082 0.0091 0.1935
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0046 0.0028 0.0014
Echinococcus granulosus thioredoxin glutathione reductase 0.005 0.0034 0.0746
Brugia malayi glutathione reductase 0.005 0.0034 0.0704
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0228 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0034 0.0696
Plasmodium falciparum glutathione reductase 0.005 0.0034 0.1343
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0781 0.1325 0.1321
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0034 0.0696
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0059 0.0055
Onchocerca volvulus 0.005 0.0034 0.0696
Trypanosoma brucei trypanothione reductase 0.005 0.0034 0.1343
Onchocerca volvulus 0.005 0.0034 0.0696
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0034 0.0696
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.005 0.0034 0.002
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0033 0.0004 0.0097
Plasmodium vivax thioredoxin reductase, putative 0.005 0.0034 0.1436
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.0462 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0034 0.0696
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0059 0.1247
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.0059 0.0055
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0093 0.1983
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0004 0.0053
Brugia malayi Carboxylesterase family protein 0.0082 0.0091 0.1935
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0034 0.0696
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.0228 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.0696
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0113 0.0146 0.3136
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.0059 0.0045
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0033 0.0004 0.0107
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.0696
Giardia lamblia Cysteinyl-tRNA synthetase 0.0083 0.0093 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.0228 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.0462 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0114 0.0147 0.0133
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0093 0.3976
Echinococcus multilocularis thymidylate synthase 0.0113 0.0146 0.3136
Plasmodium vivax hypothetical protein, conserved 0.005 0.0034 0.1419
Brugia malayi thymidylate synthase 0.0113 0.0146 0.3136
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.0462 1
Brugia malayi Thioredoxin reductase 0.005 0.0034 0.0704
Toxoplasma gondii hypothetical protein 0.005 0.0034 0.1419
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0093 0.3976
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0082 0.0091 0.1935
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.0059 0.1247
Trichomonas vaginalis set domain proteins, putative 0.0249 0.0387 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0034 0.0696
Loa Loa (eye worm) hypothetical protein 0.0082 0.0091 0.1935
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.0265 0.4547
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.0059 0.2542
Plasmodium falciparum thioredoxin reductase 0.005 0.0034 0.1343
Loa Loa (eye worm) serotonin transporter b 0.0292 0.0462 1
Echinococcus multilocularis dihydrofolate reductase 0.0046 0.0028 0.0564
Loa Loa (eye worm) carboxylesterase 0.0082 0.0091 0.1935
Onchocerca volvulus 0.005 0.0034 0.0696
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.0462 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.1419
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0083 0.0093 1
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.018 0.0166
Schistosoma mansoni dihydrofolate reductase 0.0046 0.0028 0.0564
Chlamydia trachomatis cysteine--tRNA ligase 0.0083 0.0093 0.1473
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.0265 0.026
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0034 0.0737
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0083 0.0093 0.0089
Toxoplasma gondii thioredoxin reductase 0.005 0.0034 0.1436
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0034 0.0696
Loa Loa (eye worm) dihydrofolate reductase 0.0046 0.0028 0.0564
Echinococcus granulosus thymidylate synthase 0.0113 0.0146 0.3166
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0034 0.0696
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0083 0.0093 0.1983
Echinococcus granulosus acetylcholinesterase 0.0082 0.0091 0.1971
Brugia malayi Pre-SET motif family protein 0.0219 0.0333 0.7204
Toxoplasma gondii hypothetical protein 0.005 0.0034 0.1419
Echinococcus granulosus dihydrofolate reductase 0.0046 0.0028 0.0606
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0114 0.0147 0.0133
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0034 0.0737
Plasmodium falciparum amino acid transporter, putative 0.005 0.0034 0.1326
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0046 0.0028 0.0024
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0034 0.0696
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0034 0.0696
Leishmania major cysteinyl-tRNA synthetase, putative 0.0083 0.0093 0.3976
Mycobacterium tuberculosis Probable oxidoreductase 0.0126 0.0169 0.0156
Echinococcus granulosus cysteinyl tRNA synthetase 0.0083 0.0093 0.2018
Loa Loa (eye worm) hypothetical protein 0.0033 0.0004 0.0053
Loa Loa (eye worm) hypothetical protein 0.0292 0.0462 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0126 0.0169 0.0156
Loa Loa (eye worm) hypothetical protein 0.005 0.0034 0.0696
Brugia malayi Dihydrofolate reductase 0.0046 0.0028 0.0564
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0033 0.0004 0.0107
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0042 0.0028
Echinococcus multilocularis acetylcholinesterase 0.0082 0.0091 0.1935
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0034 0.0696
Onchocerca volvulus 0.0033 0.0004 0.0053
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0093 0.1983
Loa Loa (eye worm) hypothetical protein 0.0292 0.0462 1
Leishmania major trypanothione reductase 0.005 0.0034 0.1343
Onchocerca volvulus 0.0113 0.0146 0.3136
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.0462 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0034 0.1419
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0781 0.1325 0.1313

Activities

Activity type Activity value Assay description Source Reference
Animals (functional) = 6 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 6 % Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 7 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 7 % Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 20 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 20 % Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 25 % Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 25 % Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 27 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 27 % Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 33 % Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously. ChEMBL. 2754707
Animals (functional) = 33 % Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously. ChEMBL. 2754707
IC50 (functional) = 1.8 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 1.8 uM Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar ChEMBL. 2754707
IC50 (functional) = 2.9 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 2.9 uM Inhibition of the reuptake of dopamine in rat corpora striata. ChEMBL. 2754707
IC50 (functional) = 12 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (functional) = 12 uM Inhibition of serotonin reuptake in rat whole brains without cerebellum ChEMBL. 2754707
IC50 (binding) = 16.7 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
IC50 (binding) = 16.7 uM In vitro inhibition against acetylcholinesterase in rat striata. ChEMBL. 2754707
LD50 (ADMET) < 80 mg kg-1 Toxicity of the compound was evaluated in rats, after intraperitoneal administration;Value ranges from (40-80). ChEMBL. 2754707

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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