Detailed information for compound 1783236

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.187 | Formula: C16H13Cl2NO
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1NCC(C1c1ccccc1)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C16H13Cl2NO/c17-13-7-6-11(8-14(13)18)12-9-19-16(20)15(12)10-4-2-1-3-5-10/h1-8,12,15H,9H2,(H,19,20)
  • InChiKey: LTOCWIOHTZQZEL-UHFFFAOYSA-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 solute carrier family 6 (neurotransmitter transporter), member 2 Starlite/ChEMBL References
Homo sapiens solute carrier family 6 (neurotransmitter transporter), member 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Brugia malayi Sodium:neurotransmitter symporter family 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 japonicum Sodium-dependent noradrenaline 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 dopamine transporter, putative 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
Onchocerca volvulus 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 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) 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) 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
Loa Loa (eye worm) solute carrier family 6 member 4 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 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
Schistosoma japonicum Sodium-dependent dopamine transporter, putative 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
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 2 617 aa 638 aa 32.5 %
Brugia malayi Sodium:neurotransmitter symporter family protein solute carrier family 6 (neurotransmitter transporter), member 3 620 aa 579 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Echinococcus multilocularis Niemann Pick C1 protein 0.0151 0.1712 0.1712
Echinococcus multilocularis ceramide kinase 0.003 0.0073 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Plasmodium vivax diacylglycerol kinase, putative 0.003 0.0073 0.0152
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0236 0.0654
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0106 0.1099 0.1033
Echinococcus multilocularis sphingosine kinase 1 0.0767 1 1
Echinococcus multilocularis geminin 0.0169 0.1949 0.1949
Brugia malayi hypothetical protein 0.0079 0.0739 0.1146
Echinococcus multilocularis chromobox protein 1 0.007 0.0607 0.0607
Schistosoma mansoni hypothetical protein 0.0169 0.1949 0.1899
Brugia malayi diacylglycerol kinase 0.003 0.0073 0.0017
Mycobacterium ulcerans diacylglycerol kinase 0.003 0.0073 0.0073
Echinococcus multilocularis protein patched 0.0045 0.0283 0.0283
Mycobacterium tuberculosis Conserved protein 0.0767 1 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.003 0.0073 0.0073
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0955 0.0955
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.003 0.0073 0.001
Echinococcus granulosus jumonji domain containing protein 0.004 0.0216 0.0216
Echinococcus multilocularis chromobox protein 1 0.007 0.0607 0.0607
Loa Loa (eye worm) diacylglycerol kinase 2 0.003 0.0073 0.001
Plasmodium vivax hypothetical protein, conserved 0.0079 0.0739 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0063 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0071 0.0008
Loa Loa (eye worm) norepinephrine transporter 0.0467 0.5966 0.5941
Echinococcus granulosus chromobox protein 1 0.007 0.0607 0.0607
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0079 0.0739 0.0681
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0042 0.0118
Schistosoma mansoni chromobox protein 0.007 0.0607 0.0548
Echinococcus granulosus Niemann Pick C1 protein 0.0151 0.1712 0.1712
Loa Loa (eye worm) transcription factor SMAD2 0.0248 0.3008 0.2964
Echinococcus granulosus Niemann Pick C1 protein 0.0106 0.1099 0.1099
Echinococcus granulosus geminin 0.0169 0.1949 0.1949
Loa Loa (eye worm) hypothetical protein 0.003 0.0073 0.001
Echinococcus granulosus Diacylglycerol kinase theta 0.003 0.0073 0.0073
Loa Loa (eye worm) ceramide kinase 0.003 0.0073 0.001
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0079 0.0739 0.0681
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0079 0.0739 0.1146
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0071 0.0118
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.246 0.2412
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.003 0.0073 0.001
Onchocerca volvulus 0.0236 0.2845 0.4713
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0145 0.0083
Leishmania major hypothetical protein, conserved 0.003 0.0073 0.0288
Echinococcus granulosus Diacylglycerol kinase zeta 0.003 0.0073 0.0073
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0467 0.0467
Loa Loa (eye worm) solute carrier family 6 member 4 0.0467 0.5966 0.5941
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0079 0.0739 0.0739
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0079 0.0739 1
Schistosoma mansoni hypothetical protein 0.0044 0.0261 0.02
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0079 0.0739 0.1146
Brugia malayi MH2 domain containing protein 0.0248 0.3008 0.4989
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0283 0.0283
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.003 0.0073 0.0152
Onchocerca volvulus Ceramide kinase 1 homolog 0.003 0.0073 0.0017
Mycobacterium tuberculosis Diacylglycerol kinase 0.003 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0467 0.5966 0.5941
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0079 0.0739 0.1146
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0042 0.0118
Schistosoma mansoni chromobox protein 0.007 0.0607 0.0548
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0079 0.0739 0.0739
Leishmania major diacylglycerol kinase, putative 0.003 0.0073 0.0288
Brugia malayi Ceramide kinase 0.003 0.0073 0.0017
Echinococcus granulosus sodium and chloride dependent glycine 0.0079 0.0739 0.0739
Loa Loa (eye worm) serotonin transporter b 0.0467 0.5966 0.5941
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Schistosoma mansoni diacylglycerol kinase theta 0.003 0.0073 0.001
Trypanosoma cruzi diacylglycerol kinase, putative 0.003 0.0073 0.0288
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0073 0.0202
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Loa Loa (eye worm) hypothetical protein 0.0056 0.0421 0.0361
Onchocerca volvulus 0.0079 0.0739 0.1146
Trypanosoma brucei hypothetical protein, conserved 0.0212 0.2531 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.003 0.0073 0.0288
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0079 0.0739 0.0681
Echinococcus granulosus chromobox protein 1 0.007 0.0607 0.0607
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0196 0.0544
Schistosoma mansoni sphingosine kinase A B 0.0767 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0467 0.5969
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2531 1
Plasmodium falciparum amino acid transporter, putative 0.0079 0.0739 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3601 0.3554
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0236 0.0293
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0145 0.0083
Brugia malayi diacylglycerol kinase 0.003 0.0073 0.0017
Trypanosoma cruzi hypothetical protein, conserved 0.0212 0.2531 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.048 0.042
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Echinococcus multilocularis serotonin transporter 0.0467 0.5966 0.5966
Schistosoma mansoni patched 1 0.0045 0.0283 0.0222
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0073 0.0288
Echinococcus granulosus sodium and chloride dependent glycine 0.0079 0.0739 0.0739
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0108 0.1121 0.1065
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0283 0.0787
Schistosoma mansoni hypothetical protein 0.0044 0.0261 0.02
Schistosoma mansoni hypothetical protein 0.003 0.0073 0.001
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.003 0.0073 0.0073
Loa Loa (eye worm) hypothetical protein 0.0467 0.5966 0.5941
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0467 0.0467
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.1591 0.1591
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0767 1 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0079 0.0739 0.0739
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0196 0.0544
Schistosoma mansoni sodium/chloride dependent transporter 0.0079 0.0739 0.0681
Echinococcus granulosus peregrin 0.0029 0.0063 0.0063
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0236 0.0654
Loa Loa (eye worm) hypothetical protein 0.0437 0.5558 0.553
Echinococcus multilocularis protein dispatched 1 0.0052 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.017 0.1963 0.1912
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0079 0.0739 0.0739
Mycobacterium ulcerans hypothetical protein 0.0767 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0056 0.0056
Brugia malayi Heterochromatin protein 1 0.007 0.0607 0.0923
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.1591 0.1591
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0467 0.0406
Schistosoma mansoni sphingoid long chain base kinase 0.0767 1 1
Trichomonas vaginalis sphingosine kinase, putative 0.003 0.0073 0.0202
Leishmania major diacylglycerol kinase-like protein 0.003 0.0073 0.0288
Trichomonas vaginalis set domain proteins, putative 0.0236 0.2845 0.7901
Brugia malayi CHE-14 protein 0.0045 0.0283 0.0374
Echinococcus multilocularis expressed conserved protein 0.01 0.1012 0.1012
Schistosoma mansoni sodium-dependent amino acid transporter 0.0079 0.0739 0.0681
Brugia malayi Niemann-Pick C1 protein precursor 0.0106 0.1099 0.1755
Echinococcus granulosus acylglycerol kinase mitochondrial 0.003 0.0073 0.0073
Toxoplasma gondii hypothetical protein 0.0079 0.0739 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0079 0.0739 0.0681
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0292 0.3601 0.3554
Plasmodium falciparum transporter, putative 0.0079 0.0739 1
Brugia malayi chromobox protein homolog 3 0.0039 0.0196 0.0226
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0063 0.0063
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.003 0.0073 0.001
Schistosoma mansoni hypothetical protein 0.0044 0.0261 0.02
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0467 0.0406
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0196 0.0226
Schistosoma mansoni sodium/chloride dependent transporter 0.0467 0.5966 0.5941
Echinococcus multilocularis peregrin 0.0029 0.0063 0.0063
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0071 0.0008
Loa Loa (eye worm) hypothetical protein 0.0106 0.1099 0.1043
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0079 0.0739 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0145 0.0083
Plasmodium vivax SET domain protein, putative 0.003 0.0071 0.0118
Schistosoma mansoni diacylglycerol kinase theta 0.003 0.0073 0.001
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0283 0.0222
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0079 0.0739 0.1146
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Echinococcus multilocularis Niemann Pick C1 protein 0.0106 0.1099 0.1099
Brugia malayi jmjC domain containing protein 0.0035 0.0145 0.014
Brugia malayi ecdysteroid receptor 0.017 0.1963 0.3218
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Schistosoma mansoni diacylglycerol kinase zeta iota 0.003 0.0073 0.001
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0283 0.0283
Entamoeba histolytica hypothetical protein, conserved 0.0767 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0467 0.0467
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0224 0.0162
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.1591 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Brugia malayi hypothetical protein 0.003 0.0073 0.0017
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Trypanosoma cruzi Sphingosine kinase 0.003 0.0073 0.0288
Echinococcus granulosus expressed conserved protein 0.01 0.1012 0.1012
Echinococcus multilocularis Diacylglycerol kinase zeta 0.003 0.0073 0.0073
Leishmania major hypothetical protein, conserved 0.0212 0.2531 1
Onchocerca volvulus 0.003 0.0073 0.0017
Loa Loa (eye worm) hypothetical protein 0.0437 0.5558 0.553
Trichomonas vaginalis bmru protein, putative 0.003 0.0073 0.0202
Brugia malayi Pre-SET motif family protein 0.003 0.0071 0.0014
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0079 0.0739 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0196 0.0134
Brugia malayi Pre-SET motif family protein 0.0207 0.246 0.406
Plasmodium falciparum diacylglycerol kinase, putative 0.003 0.0073 0.0152
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0532 0.6838 0.6838
Loa Loa (eye worm) hypothetical protein 0.003 0.0071 0.0008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0071 0.0008
Echinococcus multilocularis sodium and chloride dependent glycine 0.0079 0.0739 0.0739
Trypanosoma cruzi diacylglycerol kinase, putative 0.003 0.0073 0.0288
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0607 0.0548
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.003 0.0073 0.0202
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.003 0.0073 0.0202
Trichomonas vaginalis chromobox protein, putative 0.007 0.0607 0.1687
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0079 0.0739 0.0739
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0467 0.0467
Onchocerca volvulus 0.0079 0.0739 0.1146
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0079 0.0739 0.0739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.003 0.0073 0.0202
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0283 0.0283
Trypanosoma cruzi Sphingosine kinase 0.003 0.0073 0.0288
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0071 0.0071
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Echinococcus granulosus ceramide kinase 0.003 0.0073 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.003 0.0073 0.0288
Brugia malayi Eye-specific diacylglycerol kinase 0.003 0.0073 0.0017
Echinococcus granulosus serotonin transporter 0.0467 0.5966 0.5966
Onchocerca volvulus 0.0079 0.0739 0.1146
Trichomonas vaginalis diacylglycerol kinase, putative 0.003 0.0073 0.0202
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0079 0.0739 0.0681
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0071 0.0071
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0145 0.0145
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0079 0.0739 0.0739
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0079 0.0739 0.0681
Toxoplasma gondii diacylglycerol kinase, putative 0.003 0.0073 0.0152
Echinococcus granulosus tm gpcr rhodopsin 0.0532 0.6838 0.6838
Trichomonas vaginalis bmru protein, putative 0.003 0.0073 0.0202
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0955 0.0955
Treponema pallidum sodium- and chloride- dependent transporter 0.0467 0.5966 1
Loa Loa (eye worm) hypothetical protein 0.0467 0.5966 0.5941
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0691 0.0632
Schistosoma mansoni hypothetical protein 0.0044 0.0261 0.02
Trichomonas vaginalis sphingosine kinase, putative 0.003 0.0073 0.0202
Trichomonas vaginalis chromobox protein, putative 0.007 0.0607 0.1687
Onchocerca volvulus 0.0031 0.0082 0.0033
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.003 0.0073 0.0152
Brugia malayi Diacylglycerol kinase protein 2 0.003 0.0073 0.0017
Plasmodium vivax amine transporter, putative 0.0079 0.0739 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0079 0.0739 0.0739
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0079 0.0739 0.5
Leishmania major sphingosine kinase A, B, putative 0.003 0.0073 0.0288
Toxoplasma gondii hypothetical protein 0.0079 0.0739 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0082 0.002
Brugia malayi jmjC domain containing protein 0.0095 0.0955 0.1511
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0467 0.5966 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0467 0.5966 0.5941
Trichomonas vaginalis diacylglycerol kinase, putative 0.003 0.0073 0.0202
Loa Loa (eye worm) hypothetical protein 0.003 0.0073 0.001
Plasmodium vivax diacylglycerol kinase, putative 0.003 0.0073 0.0152
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Leishmania major hypothetical protein, conserved 0.003 0.0073 0.0288
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.003 0.0073 0.0288
Onchocerca volvulus Bile acid receptor homolog 0.017 0.1963 0.3218
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0292 0.3601 1
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0216 0.0216
Loa Loa (eye worm) MH2 domain-containing protein 0.0248 0.3008 0.2964
Schistosoma mansoni hypothetical protein 0.0169 0.1949 0.1899
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0467 0.0467
Onchocerca volvulus 0.0041 0.0224 0.0273
Giardia lamblia Fructose-bisphosphate aldolase 0.0292 0.3601 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0739 0.0681
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0467 0.1843
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0145 0.0145
Onchocerca volvulus 0.0467 0.5966 1
Plasmodium falciparum diacylglycerol kinase, putative 0.003 0.0073 0.0152
Loa Loa (eye worm) hypothetical protein 0.0045 0.0283 0.0222
Loa Loa (eye worm) hypothetical protein 0.005 0.0343 0.0282

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 36.6 nM Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells ChEMBL. 24012181
IC50 (binding) = 865.7 nM Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells ChEMBL. 24012181
Inhibition (binding) = 29.4 % Inhibition of human SERT-mediated serotonin uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis ChEMBL. 24012181
Inhibition (binding) = 49 % Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK293 cells at 10 uM ChEMBL. 24012181
Inhibition (binding) = 83 % Displacement of [3H]Win35428 from human recombinant DAT over-expressed in CHOK1 cells at 10 uM ChEMBL. 24012181
Inhibition (binding) = 87 % Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells at 10 uM ChEMBL. 24012181
Inhibition (binding) = 91.6 % Inhibition of human NET-mediated norepinephrine uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis ChEMBL. 24012181
Inhibition (binding) = 93.2 % Inhibition of human DAT-mediated dopamine uptake expressed in HEK293 cells at 10 uM after 15 mins by fluorescence plate reader analysis ChEMBL. 24012181

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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