Detailed information for compound 520169

Basic information

Technical information
  • TDR Targets ID: 520169
  • Name: 3-[(1R,2R)-1-methoxy-2-(methylaminomethyl)cyc lohexyl]phenol
  • MW: 249.349 | Formula: C15H23NO2
  • H donors: 2 H acceptors: 1 LogP: 2.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC[C@H]1CCCC[C@]1(OC)c1cccc(c1)O
  • InChi: 1S/C15H23NO2/c1-16-11-13-6-3-4-9-15(13,18-2)12-7-5-8-14(17)10-12/h5,7-8,10,13,16-17H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
  • InChiKey: OSJBPKOZISTQCO-HIFRSBDPSA-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 solute carrier family 6 (neurotransmitter transporter), member 2 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 4 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Sodium-dependent dopamine transporter, putative 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
Loa Loa (eye worm) solute carrier family 6 member 4 Get druggable targets OG5_128364 All targets in OG5_128364
Onchocerca volvulus 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 dopamine transporter, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) 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 ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) serotonin transporter b 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 IPR000175,Sodium:neurotransmitter symporter,domain-containing 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
Treponema pallidum sodium- and 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
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
Echinococcus multilocularis serotonin 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
Brugia malayi Sodium:neurotransmitter symporter family protein 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
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 4 630 aa 574 aa 31.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 2 617 aa 638 aa 32.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei sugar transporter, putative 0.0029 0.0201 0.2874
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0031 0.022 0.0229
Echinococcus granulosus neuropeptide receptor A26 0.0484 0.5399 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0399 0.1268
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0082 0.4055
Onchocerca volvulus 0.0031 0.022 0.0104
Echinococcus granulosus solute carrier family 22 0.0029 0.0201 0.0373
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0294 0.0294
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0201 0.064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0376 0.1195
Toxoplasma gondii lysine-tRNA ligase 0.0047 0.0399 0.0603
Brugia malayi hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0294 0.113
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0201 0.064
Echinococcus multilocularis solute carrier family 22 0.0029 0.0201 0.021
Schistosoma mansoni glutaminase 0.0287 0.3145 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0376 0.1195
Trypanosoma brucei glucose transporter 2A 0.0065 0.0606 0.8651
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0029 0.0201 0.021
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0064 0.0597 0.8517
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0029 0.0201 0.064
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0701 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0082 0.026
Brugia malayi hypothetical protein 0.0031 0.022 0.0698
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium falciparum proline--tRNA ligase 0.0073 0.0701 0.0701
Loa Loa (eye worm) sugar transporter 0.0209 0.2253 0.7165
Mycobacterium ulcerans beta-lactamase 0.0037 0.0294 0.0935
Schistosoma mansoni ap endonuclease 0.0019 0.0082 0.026
Brugia malayi hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) glutaminase 2 0.0287 0.3145 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.022 0.0698
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0012 0.0038
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0698
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0294 0.0935
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.2253 0.2349
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0082 0.026
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0294 0.4195
Plasmodium vivax CDK-related protein kinase 6, putative 0.0887 1 1
Onchocerca volvulus 0.0037 0.0294 0.0529
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0082 0.1165
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0064 0.0597 0.0597
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0063 0.0582 0.0607
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0338 0.3724 0.3724
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.022 0.0698
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0201 0.064
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0698
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Schistosoma mansoni sodium/chloride dependent transporter 0.0031 0.022 0.0698
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.022 0.0407
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Schistosoma mansoni protein kinase 0.0064 0.0597 0.1898
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0294 0.0935
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0082 0.0085
Loa Loa (eye worm) hypothetical protein 0.0051 0.0448 0.1423
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Trypanosoma cruzi sugar transporter, putative 0.0029 0.0201 0.2874
Onchocerca volvulus 0.0182 0.195 1
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0318 0.5469
Echinococcus multilocularis General substrate transporter 0.018 0.1918 0.1999
Mycobacterium leprae Probable lipase LipE 0.0037 0.0294 0.505
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0701 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0047 0.0399 0.5689
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0201 0.064
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0294 0.113
Brugia malayi major facilitator superfamily protein 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0063 0.0582 0.1851
Trichomonas vaginalis glucose transporter, putative 0.0065 0.0606 0.1927
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0012 0.0038
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0294 0.113
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.004 0.0318 0.1223
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0082 0.0314
Trypanosoma cruzi hexose transporter, putative 0.0029 0.0201 0.2874
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0064 0.0597 0.1898
Trypanosoma cruzi hexose transporter, putative 0.0065 0.0606 0.8651
Trichomonas vaginalis CAMK family protein kinase 0.0064 0.0597 0.1898
Trypanosoma cruzi hexose transporter, putative 0.0065 0.0606 0.8651
Leishmania major glucose transporter, lmgt1 0.0065 0.0606 0.8651
Echinococcus multilocularis solute carrier family 22 0.0029 0.0201 0.021
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0294 0.113
Toxoplasma gondii exonuclease III APE 0.0019 0.0082 0.0124
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0294 0.0935
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0064 0.0597 0.0903
Brugia malayi Sugar transporter family protein 0.0209 0.2253 0.7165
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0063 0.0582 0.1851
Leishmania major glucose transporter, lmgt3 0.0065 0.0606 0.8651
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0294 0.0935
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0376 0.1195
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Plasmodium vivax hypothetical protein, conserved 0.0031 0.022 0.022
Plasmodium vivax sugar transporter, putative 0.0029 0.0201 0.0201
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.2253 0.4174
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.0622
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0294 0.505
Loa Loa (eye worm) major facilitator superfamily transporter 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Toxoplasma gondii protein kinase, putative 0.0591 0.6612 1
Trichomonas vaginalis glucose transporter, putative 0.0029 0.0201 0.064
Leishmania major glucose transporter/membrane transporter D2, putative 0.0065 0.0606 0.8651
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0031 0.022 0.0407
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0047 0.0399 0.1268
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0294 0.0306
Loa Loa (eye worm) serotonin transporter b 0.0182 0.195 0.6202
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Chlamydia trachomatis proline--tRNA ligase 0.0022 0.0119 0.2978
Toxoplasma gondii sugar transporter ST1 0.0029 0.0201 0.0305
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0294 0.0935
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus multilocularis solute carrier family 22 0.0029 0.0201 0.021
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0029 0.0201 0.2874
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0082 0.1403
Schistosoma mansoni sodium/chloride dependent transporter 0.0035 0.0265 0.0843
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Leishmania major lysyl-tRNA synthetase, putative 0.0047 0.0399 0.5689
Echinococcus granulosus synaptic vesicle 2 protein 0.0029 0.0201 0.0373
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.2253 0.2349
Schistosoma mansoni sugar transporter 0.0029 0.0201 0.064
Loa Loa (eye worm) beta-lactamase 0.0037 0.0294 0.0935
Brugia malayi hypothetical protein 0.0029 0.0201 0.064
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0082 0.0082
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0294 0.0935
Plasmodium falciparum calcium-dependent protein kinase 4 0.0064 0.0597 0.0597
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0063 0.0582 0.1851
Echinococcus multilocularis lysyl tRNA synthetase 0.0047 0.0399 0.0416
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0338 0.3724 0.5632
Mycobacterium ulcerans lipase LipD 0.0037 0.0294 0.0935
Loa Loa (eye worm) hypothetical protein 0.0047 0.0399 0.1268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0376 0.0696
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.2253 0.4174
Schistosoma mansoni sugar transporter 0.0029 0.0201 0.064
Mycobacterium ulcerans hypothetical protein 0.0037 0.0294 0.0935
Echinococcus multilocularis neuropeptide s receptor 0.0484 0.5399 0.5628
Trypanosoma brucei glucose transporter 1E 0.0065 0.0606 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0209 0.2253 0.7165
Leishmania major myo-inositol/proton symporter (MIT) 0.0029 0.0201 0.2874
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.0622
Trypanosoma cruzi glucose transporter, putative 0.0029 0.0201 0.2874
Loa Loa (eye worm) hypothetical protein 0.0182 0.195 0.6202
Giardia lamblia Prolyl-tRNA synthetase 0.0063 0.0582 1
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0073 0.0701 0.106
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0209 0.2253 0.2349
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus granulosus solute carrier family 22 0.0029 0.0201 0.0373
Plasmodium falciparum calcium-dependent protein kinase 5 0.0064 0.0597 0.0597
Loa Loa (eye worm) hypothetical protein 0.0063 0.0582 0.1851
Plasmodium falciparum amino acid transporter, putative 0.0031 0.022 0.022
Schistosoma mansoni glucose transporter 0.0029 0.0201 0.064
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.2253 0.4174
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0064 0.0597 0.1898
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0082 0.026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0376 0.0392
Toxoplasma gondii ABC1 family protein 0.0037 0.0294 0.0445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0376 0.1195
Echinococcus granulosus solute carrier family 22 0.0029 0.0201 0.0373
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0294 0.4195
Trypanosoma cruzi hexose transporter 0.0065 0.0606 0.8651
Echinococcus granulosus General substrate transporter 0.018 0.1918 0.3552
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0182 0.195 0.6202
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium falciparum protein kinase 7 0.0591 0.6612 0.6612
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.004 0.0318 0.1223
Echinococcus granulosus calcium dependent protein kinase 0.006 0.0552 0.1022
Onchocerca volvulus 0.0031 0.022 0.0104
Trypanosoma cruzi hexose transporter, putative 0.0035 0.027 0.386
Trichomonas vaginalis sugar transporter, putative 0.0065 0.0606 0.1927
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Entamoeba histolytica hypothetical protein 0.0047 0.0399 0.6679
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.2602 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0012 0.0038
Echinococcus multilocularis synaptic vesicle 2 protein 0.0029 0.0201 0.021
Mycobacterium tuberculosis Conserved protein 0.0037 0.0294 0.113
Brugia malayi Sugar transporter family protein 0.0029 0.0201 0.064
Onchocerca volvulus 0.0037 0.0294 0.0529
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0698
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0073 0.0701 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.022 0.0698
Echinococcus multilocularis geminin 0.0176 0.1871 0.195
Toxoplasma gondii hypothetical protein 0.0031 0.022 0.0332
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0063 0.0582 0.1078
Plasmodium vivax amine transporter, putative 0.0031 0.022 0.022
Loa Loa (eye worm) sugar transporter 0.0029 0.0201 0.064
Mycobacterium tuberculosis Conserved protein 0.0037 0.0294 0.113
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.022 0.0698
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0376 0.0696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0376 0.1195
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0582 0.1851
Echinococcus granulosus lysyl tRNA synthetase 0.0047 0.0399 0.0738
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0294 0.113
Echinococcus granulosus geminin 0.0176 0.1871 0.3466
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0294 0.0935
Schistosoma mansoni hypothetical protein 0.0176 0.1871 0.5949
Plasmodium falciparum calcium-dependent protein kinase 2 0.0064 0.0597 0.0597
Mycobacterium ulcerans integral membrane transport protein 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0182 0.195 0.6202
Schistosoma mansoni glucose transport protein 0.0209 0.2253 0.7165
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Schistosoma mansoni sugar transporter 0.0029 0.0201 0.064
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0332
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0082 0.026
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0332
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0294 0.4195
Onchocerca volvulus 0.0037 0.0294 0.0529
Loa Loa (eye worm) solute carrier family 6 member 4 0.0182 0.195 0.6202
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0064 0.0597 0.0903
Plasmodium vivax proline--tRNA ligase, putative 0.0073 0.0701 0.0701
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.0606 0.8651
Plasmodium falciparum calcium-dependent protein kinase 3 0.0064 0.0597 0.0597
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0031 0.022 0.0698
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0064 0.0597 0.0903
Echinococcus multilocularis solute carrier family 22 0.0029 0.0201 0.021
Schistosoma mansoni sugar transporter 0.0029 0.0201 0.064
Echinococcus granulosus Sugar transporter ERD6 protein 0.0029 0.0201 0.0373
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0063 0.0582 0.1851
Schistosoma mansoni sodium-dependent amino acid transporter 0.0031 0.022 0.0698
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0031 0.022 0.0229
Plasmodium falciparum hexose transporter 0.0209 0.2253 0.2253
Toxoplasma gondii hypothetical protein 0.0031 0.022 0.0332
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0041 0.0333 0.1059
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0182 0.195 0.6202
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0012 0.0171
Trichomonas vaginalis sugar transporter, putative 0.0065 0.0606 0.1927
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.022 0.0698
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0047 0.0399 0.6849
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0029 0.0201 0.0201
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0012 0.0171
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0064 0.0597 0.0597
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.022 0.0407
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0294 0.113
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0022 0.0119 0.0377
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0294 0.0935
Brugia malayi beta-lactamase family protein 0.0037 0.0294 0.0935
Leishmania major cytochrome p450-like protein 0.0013 0.0012 0.0171
Leishmania major hypothetical protein, conserved 0.0037 0.0294 0.4195
Onchocerca volvulus 0.0031 0.022 0.0104
Giardia lamblia Lysyl-tRNA synthetase 0.0047 0.0399 0.6849
Chlamydia trachomatis lysine--tRNA ligase 0.0047 0.0399 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.0622
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0029 0.0201 0.0774
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0082 0.1165
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.0029 0.0201 0.0774
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0376 0.0392
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.0606 0.8651
Mycobacterium ulcerans glutaminase 0.0287 0.3145 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0065 0.0606 0.8651
Brugia malayi Cytochrome P450 family protein 0.0013 0.0012 0.0038
Brugia malayi Cam kinase protein 1 0.0064 0.0597 0.1898
Schistosoma mansoni lysyl-tRNA synthetase 0.0047 0.0399 0.1268
Schistosoma mansoni protein kinase 0.0064 0.0597 0.1898
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0029 0.0201 1
Treponema pallidum prolyl-tRNA synthetase 0.0022 0.0119 0.0609
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0294 0.0935
Leishmania major protein kinase, putative 0.0064 0.0597 0.8517
Schistosoma mansoni ap endonuclease 0.0019 0.0082 0.026
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0063 0.0582 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.1105
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0082 0.026
Giardia lamblia Hexose transporter 0.0029 0.0201 0.346
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0031 0.022 0.0407
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.022 0.0229
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.1105
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0201 0.064
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0063 0.0582 0.9752
Toxoplasma gondii sugar transporter ST3 0.0029 0.0201 0.0305
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0012 0.0171
Trichomonas vaginalis myo-inositol transporter, putative 0.0029 0.0201 0.064
Trichomonas vaginalis glucose transporter, putative 0.0065 0.0606 0.1927
Loa Loa (eye worm) glutaminase 0.0287 0.3145 1
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0031 0.022 0.5508
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0399 0.1268
Schistosoma mansoni serine/threonine protein kinase 0.0064 0.0597 0.1898
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Brugia malayi major facilitator superfamily protein 0.0029 0.0201 0.064
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0082 0.0082
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0047 0.0399 0.1268
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0082 0.1165
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0294 0.0935
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0031 0.022 0.0229
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0063 0.0582 0.1851
Brugia malayi glutaminase DH11.1 0.0287 0.3145 1
Plasmodium falciparum lysine--tRNA ligase 0.0047 0.0399 0.0399
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0082 0.1165
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0332
Brugia malayi lysyl-tRNA synthetase 0.0047 0.0399 0.1268
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0082 0.0419
Echinococcus granulosus solute carrier family 22 0.0029 0.0201 0.0373
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0073 0.0701 1
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0064 0.0597 0.1898
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0606 0.1927
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Entamoeba histolytica protein kinase, putative 0.0064 0.0597 1
Trichomonas vaginalis glutaminase, putative 0.0287 0.3145 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0082 0.0151
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0698
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0209 0.2253 0.2349
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Echinococcus multilocularis calcium dependent protein kinase 0.006 0.0552 0.0575
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0031 0.022 0.0698
Trichomonas vaginalis esterase, putative 0.0037 0.0294 0.0935
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0031 0.022 0.0698
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Plasmodium falciparum mitogen-activated protein kinase 2 0.0338 0.3724 0.3724
Schistosoma mansoni glucose transport protein 0.0209 0.2253 0.7165
Schistosoma mansoni sodium/chloride dependent transporter 0.0182 0.195 0.6202
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.0606 0.1927
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0029 0.0201 0.064
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0031 0.022 0.0698
Echinococcus multilocularis serotonin transporter 0.0182 0.195 0.2033
Brugia malayi beta-lactamase family protein 0.0037 0.0294 0.0935
Brugia malayi Major Facilitator Superfamily protein 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0031 0.022 0.0698
Echinococcus granulosus serotonin transporter 0.0182 0.195 0.3613
Echinococcus granulosus neuropeptide s receptor 0.0484 0.5399 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0852 0.9593 1
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0182 0.195 0.6202
Schistosoma mansoni hypothetical protein 0.0176 0.1871 0.5949
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0294 0.113
Trichomonas vaginalis sugar transport protein, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0037 0.0294 0.0935
Plasmodium vivax calcium-dependent protein kinase, putative 0.0064 0.0597 0.0597
Schistosoma mansoni protein kinase 0.0064 0.0597 0.1898
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Loa Loa (eye worm) hypothetical protein 0.0064 0.0597 0.1898
Mycobacterium ulcerans sugar transporter 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0065 0.0606 0.1927
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0064 0.0597 0.0597
Plasmodium falciparum calcium-dependent protein kinase 1 0.0064 0.0597 0.0597
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0209 0.2253 0.4174
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0073 0.0701 1
Plasmodium vivax lysine--tRNA ligase, putative 0.0047 0.0399 0.0399
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Brugia malayi beta-lactamase 0.0037 0.0294 0.0935
Echinococcus multilocularis sodium and chloride dependent glycine 0.0031 0.022 0.0229
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0201 0.064
Toxoplasma gondii facilitative glucose transporter GT1 0.0209 0.2253 0.3408
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0294 0.0544
Toxoplasma gondii transporter, major facilitator family protein 0.0029 0.0201 0.0305
Leishmania major glucose transporter, lmgt2 0.0065 0.0606 0.8651
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.016 0.0508
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0201 0.064
Trypanosoma cruzi hexose transporter, putative 0.0065 0.0606 0.8651
Brugia malayi Cytochrome P450 family protein 0.0013 0.0012 0.0038
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Schistosoma mansoni glucose transport protein 0.0209 0.2253 0.7165
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0201 0.064
Trypanosoma brucei glucose transporter, putative 0.0065 0.0606 0.8651
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0082 0.1368
Brugia malayi Sugar transporter family protein 0.0029 0.0201 0.064
Entamoeba histolytica protein kinase, putative 0.0064 0.0597 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0182 0.195 1
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0047 0.0399 0.5689
Schistosoma mansoni hypothetical protein 0.0209 0.2253 0.7165
Giardia lamblia Sugar-proton symporter 0.0029 0.0201 0.346
Leishmania major hypothetical protein, conserved 0.0029 0.0201 0.2874
Plasmodium vivax hexose transporter 0.0209 0.2253 0.2253
Toxoplasma gondii sugar transporter ST2 0.0029 0.0201 0.0305
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0029 0.0201 0.064
Mycobacterium tuberculosis Conserved protein 0.0037 0.0294 0.113
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0031 0.022 0.0407
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Echinococcus granulosus sodium and chloride dependent glycine 0.0031 0.022 0.0407
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0064 0.0597 0.1105
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.1105
Loa Loa (eye worm) hypothetical protein 0.0029 0.0201 0.064
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0012 0.0038
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0294 0.0935
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0031 0.022 0.0698
Plasmodium falciparum transporter, putative 0.0031 0.022 0.022
Loa Loa (eye worm) norepinephrine transporter 0.0182 0.195 0.6202
Echinococcus multilocularis neuropeptide receptor A26 0.0484 0.5399 0.5628
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0064 0.0597 0.0622
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064
Trichomonas vaginalis sugar transporter, putative 0.0029 0.0201 0.064

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 48 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
IC50 (binding) = 48 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
IC50 (binding) = 122 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
IC50 (binding) = 122 nM Binding affinity to mu opioid receptor (unknown origin) ChEMBL. 18242987
IC50 (binding) = 2250 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
IC50 (binding) = 2250 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
IC50 (binding) = 5263 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) = 5263 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) = 6922 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) = 6922 nM Inhibition of SERT (unknown origin) mediated 5-hydroxytryptamine uptake ChEMBL. 18242987
IC50 (binding) > 10000 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
IC50 (binding) > 10000 nM Inhibition of NET (unknown origin) mediated norepinephrine uptake ChEMBL. 18242987
Stability (ADMET) = 108 % Stability in human liver S9 fraction after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 82 % Stability in rat liver S9 fraction after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 86 % Stability in rat liver microsome after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 103 % Stability in human liver microsome after 60 mins ChEMBL. 18242987
Stabilty (ADMET) = 108 % Stability in human liver S9 fraction after 60 mins ChEMBL. 18242987

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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