Detailed information for compound 1105639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 315.412 | Formula: C21H21N3
  • H donors: 1 H acceptors: 1 LogP: 3.99 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(c1)c(CCC1N(C)CCc3c1cccc3)c[nH]2
  • InChi: 1S/C21H21N3/c1-24-11-10-16-4-2-3-5-18(16)21(24)9-7-17-14-23-20-8-6-15(13-22)12-19(17)20/h2-6,8,12,14,21,23H,7,9-11H2,1H3
  • InChiKey: PQVFTFGHDAAJKQ-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 3 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
Loa Loa (eye worm) norepinephrine transporter 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
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing 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
Treponema pallidum sodium- and chloride- dependent transporter 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
Echinococcus multilocularis serotonin 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
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
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) solute carrier family 6 member 4 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 mansoni norepinephrine/norepinephrine 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 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
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
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 4 630 aa 574 aa 31.5 %
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
Schistosoma mansoni thyroid hormone receptor 0.003 0.0199 0.021
Loa Loa (eye worm) solute carrier family 6 member 4 0.0292 0.349 1
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0027 0.016 0.016
Plasmodium falciparum amino acid transporter, putative 0.005 0.0445 1
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0149 0.1691 0.1691
Schistosoma mansoni bromodomain containing protein 0.0125 0.1393 0.1472
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0044 0.0027
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0149 0.1691 0.1787
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0026 0.0147 0.2407
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0445 0.047
Onchocerca volvulus 0.005 0.0445 0.1274
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0445 0.047
Loa Loa (eye worm) calcium channel 0.0149 0.1691 0.4846
Loa Loa (eye worm) hypothetical protein 0.0034 0.025 0.0716
Loa Loa (eye worm) hypothetical protein 0.005 0.0448 0.1283
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0199 0.0571
Brugia malayi hypothetical protein 0.0016 0.0021 0.0061
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0147 0.0339
Echinococcus granulosus geminin 0.0338 0.4063 0.4293
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0186 0.2164 0.2287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0199 0.0571
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0021 0.0023
Schistosoma mansoni coup transcription factor 0.003 0.0199 0.021
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0021
Leishmania major hypothetical protein, conserved 0.0025 0.0137 0.5885
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0149 0.1691 0.1787
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.002 0.0058
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0261 0.0276
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0445 0.047
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0445 0.0445
Plasmodium falciparum transporter, putative 0.005 0.0445 1
Echinococcus multilocularis muscleblind protein 0.0146 0.1655 0.1655
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0199 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0199 0.0571
Echinococcus granulosus fetal alzheimer antigen falz 0.0045 0.0382 0.0403
Loa Loa (eye worm) hypothetical protein 0.0046 0.0395 0.1131
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0021
Echinococcus multilocularis sodium and chloride dependent glycine 0.005 0.0445 0.0445
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0149 0.1691 0.1691
Echinococcus granulosus muscleblind protein 0.0146 0.1655 0.1748
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0027 0.016 0.0169
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0199 0.0571
Brugia malayi hypothetical protein 0.0016 0.0021 0.0061
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.025 0.0716
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0021 0.0061
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0199 0.021
Brugia malayi hypothetical protein 0.0035 0.0261 0.0747
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.005 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0061
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0045 0.0382 0.0382
Loa Loa (eye worm) hypothetical protein 0.0084 0.0881 0.2523
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1655 0.1655
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0199 0.021
Brugia malayi nuclear receptor NHR-88 0.003 0.0199 0.0571
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0137 0.2164
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0714 0.0714
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0137 0.2164
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0199 0.021
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0199 0.0199
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0445 0.047
Schistosoma mansoni sodium/chloride dependent transporter 0.0292 0.349 0.3687
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0061
Schistosoma mansoni microtubule-associated protein tau 0.0768 0.9465 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0199 0.0199
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0127 0.1931
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0199 0.0571
Giardia lamblia Flap structure-specific endonuclease 0.0026 0.0147 0.8878
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0448 0.1283
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1313 0.3762
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0147 0.0147
Entamoeba histolytica hypothetical protein 0.0035 0.0261 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0199 0.0199
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0044 0.001
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0199 0.0571
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0199 0.0199
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0199 0.021
Echinococcus multilocularis voltage dependent calcium channel 0.0149 0.1691 0.1691
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0199 0.021
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0118 0.1304 0.1378
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0199 0.0571
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0021 0.0023
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.1274
Onchocerca volvulus 0.005 0.0445 0.1274
Schistosoma mansoni hypothetical protein 0.003 0.0202 0.0213
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0199 0.021
Loa Loa (eye worm) hypothetical protein 0.0292 0.349 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0199 0.0571
Plasmodium vivax amine transporter, putative 0.005 0.0445 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Brugia malayi hypothetical protein 0.0016 0.0025 0.0073
Onchocerca volvulus 0.0292 0.349 1
Trichomonas vaginalis chaperonin, putative 0.0027 0.016 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0127 0.0364
Echinococcus granulosus voltage dependent calcium channel 0.0052 0.0473 0.05
Schistosoma mansoni hypothetical protein 0.0034 0.025 0.0264
Entamoeba histolytica hypothetical protein 0.0035 0.0261 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0149 0.1691 0.1787
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.005 0.0445 0.1274
Brugia malayi steroid hormone receptor 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.002 0.0058
Loa Loa (eye worm) T-complex protein 1 0.0027 0.016 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2164 0.2287
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0245 0.0245
Onchocerca volvulus 0.003 0.0199 0.0571
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0199 0.0571
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0027 0.016 0.5366
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0445 0.047
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0186 0.2164 0.2164
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0245 0.0259
Brugia malayi nuclear hormone receptor 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.0025 0.0137 0.0392
Echinococcus granulosus zinc finger protein 0.0039 0.0308 0.0325
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0026 0.0147 0.6546
Schistosoma mansoni thyroid hormone receptor 0.003 0.0199 0.021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0186 0.2164 0.2287
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0292 0.349 0.3687
Schistosoma mansoni sodium-dependent amino acid transporter 0.005 0.0445 0.047
Echinococcus multilocularis zinc finger protein 0.0039 0.0308 0.0308
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0199 0.0571
Brugia malayi nuclear receptor RXR 0.0016 0.0021 0.0061
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0021
Brugia malayi Bromodomain containing protein 0.0076 0.0773 0.2214
Treponema pallidum sodium- and chloride- dependent transporter 0.0292 0.349 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0445 0.047
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0448 0.1283
Schistosoma mansoni zinc finger protein 0.003 0.0202 0.0213
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0044 0.0044
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0127 0.0134
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0199 0.0571
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0044 0.0126
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0137 0.2164
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0146 0.1655 0.4742
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.005 0.0445 0.047
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.9336
Toxoplasma gondii t-complex protein beta subunit 0.0027 0.016 0.2711
Loa Loa (eye worm) hypothetical protein 0.0046 0.0395 0.1131
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0027 0.016 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0448 0.1283
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.016 0.0169
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0044 0.0047
Loa Loa (eye worm) hypothetical protein 0.014 0.1577 0.452
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0245 0.0259
Toxoplasma gondii transporter, cation channel family protein 0.0052 0.0473 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0044 0.0047
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0026 0.0147 0.2407
Loa Loa (eye worm) bromodomain containing protein 0.0035 0.0261 0.0747
Echinococcus granulosus sodium and chloride dependent glycine 0.005 0.0445 0.047
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0199 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0186 0.2164 0.2164
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0199 0.0571
Schistosoma mansoni zinc finger protein 0.0039 0.0308 0.0325
Brugia malayi Muscleblind-like protein 0.0146 0.1655 0.4742
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0445 0.047
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Schistosoma mansoni hypothetical protein 0.0016 0.002 0.0021
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0199 0.021
Loa Loa (eye worm) hypothetical protein 0.0016 0.002 0.0058
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.002
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0245 0.0259
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.1274
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0261 0.0276
Echinococcus multilocularis serotonin transporter 0.0292 0.349 0.349
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0199 0.0571
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0261 0.0261
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0186 0.2164 0.6202
Plasmodium falciparum T-complex protein 1 subunit beta 0.0027 0.016 0.0763
Loa Loa (eye worm) voltage-dependent calcium channel 0.0052 0.0473 0.1356
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0199 0.0571
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.005 0.0445 0.5
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0127 0.1931
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0199 0.021
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.016 0.0169
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0052 0.0473 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0199 0.021
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0118 0.1304 0.1304
Echinococcus granulosus FTZ F1 alpha 0.003 0.0199 0.021
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0199 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.0292 0.349 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0149 0.1691 0.1787
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0199 0.021
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0061
Brugia malayi Bromodomain containing protein 0.0148 0.1684 0.4824
Echinococcus multilocularis voltage dependent calcium channel 0.0149 0.1691 0.1691
Trichomonas vaginalis flap endonuclease-1, putative 0.0026 0.0147 0.8878
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0714 0.0754
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0445 0.047
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0044 0.0044
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.1274
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0199 0.021
Loa Loa (eye worm) hypothetical protein 0.0149 0.1691 0.4846
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.1274
Brugia malayi Flap endonuclease-1 0.0026 0.0147 0.0422
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0127 0.0127
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0147 0.0422
Schistosoma mansoni hypothetical protein 0.0035 0.0261 0.0276
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0147 0.2407
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0199 0.0571
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0199 0.0571
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0199 0.0199
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0034 0.0245 0.0245
Echinococcus granulosus microtubule associated protein 2 0.0768 0.9465 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0199 0.0199
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.005 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.0076 0.0774 0.2219
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0199 0.0571
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0027 0.016 0.0169
Brugia malayi MH2 domain containing protein 0.0119 0.1313 0.3762
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0044 0.0126
Entamoeba histolytica Flap nuclease, putative 0.0026 0.0147 0.4764
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0027 0.016 0.2711
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0199 0.0571
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0052 0.0473 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0149 0.1691 0.1787
Plasmodium vivax hypothetical protein, conserved 0.005 0.0445 1
Brugia malayi PHD-finger family protein 0.0049 0.044 0.1262
Brugia malayi ecdysteroid receptor 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.008 0.0833 0.2388
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0044 0.0047
Brugia malayi hypothetical protein 0.005 0.0445 0.1274
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0199 0.021
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0021 0.0061
Leishmania major hypothetical protein, conserved 0.003 0.0202 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0045 0.0382 0.0403
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0199 0.021
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.016 0.046
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0061
Loa Loa (eye worm) hypothetical protein 0.0021 0.0084 0.0241
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0027 0.016 0.2711
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0127 0.1931
Brugia malayi Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.1274
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.005 0.0445 0.0445
Toxoplasma gondii hypothetical protein 0.005 0.0445 0.9336
Schistosoma mansoni methyl-cpg binding protein mbd 0.0034 0.0245 0.0259
Loa Loa (eye worm) serotonin transporter b 0.0292 0.349 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0445 0.1274
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0021 0.0021
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0199 0.0571
Schistosoma mansoni flap endonuclease-1 0.0023 0.0116 0.0123
Loa Loa (eye worm) norepinephrine transporter 0.0292 0.349 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0149 0.1691 0.4846
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0199 0.0571
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0027 0.016 0.0763
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0044 0.0126
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0186 0.2164 0.6202
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.005 0.0445 0.047
Plasmodium falciparum flap endonuclease 1 0.0026 0.0147 0.0339
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0199 0.021
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0199 0.0571
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0199 0.0571
Schistosoma mansoni voltage-gated cation channel 0.0149 0.1691 0.1787
Entamoeba histolytica hypothetical protein 0.0024 0.0127 0.3822
Onchocerca volvulus 0.005 0.0445 0.1274
Brugia malayi Latrophilin receptor protein 2 0.0016 0.002 0.0058
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.005 0.0445 0.047
Echinococcus granulosus uncharacterized sodium dependent transporter 0.005 0.0445 0.047
Echinococcus granulosus serotonin transporter 0.0292 0.349 0.3687
Echinococcus granulosus voltage dependent calcium channel 0.0149 0.1691 0.1787
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0149 0.1691 0.1691
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0199 0.021
Leishmania major T-complex protein 1, beta subunit, putative 0.0027 0.016 0.7373
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.9336
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Entamoeba histolytica hypothetical protein 0.0035 0.0261 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0127 0.0134
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0044 0.0126
Echinococcus granulosus flap endonuclease 1 0.0026 0.0147 0.0156
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0245 0.0259
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0199 0.0199
Trypanosoma cruzi ISWI complex protein 0.003 0.0202 0.3677
Trypanosoma brucei ISWI complex protein 0.003 0.0202 0.3677
Toxoplasma gondii hypothetical protein 0.005 0.0445 0.9336
Echinococcus multilocularis GPCR, family 2 0.0016 0.002 0.002
Giardia lamblia TCP-1 chaperonin subunit beta 0.0027 0.016 1
Loa Loa (eye worm) hypothetical protein 0.0292 0.349 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0245 0.0703
Brugia malayi T-complex protein 1, beta subunit 0.0027 0.016 0.046
Schistosoma mansoni hypothetical protein 0.0338 0.4063 0.4293
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0199 0.021
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0021 0.0023
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Loa Loa (eye worm) hypothetical protein 0.003 0.0199 0.0571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.7122
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0044 0.0047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0199 0.0571
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1313 0.3762
Loa Loa (eye worm) PHD-finger family protein 0.0041 0.0334 0.0958
Loa Loa (eye worm) hypothetical protein 0.0146 0.1655 0.4742
Schistosoma mansoni sodium/chloride dependent transporter 0.005 0.0445 0.047
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0137 0.2164
Toxoplasma gondii hypothetical protein 0.0046 0.0395 0.817
Schistosoma mansoni nuclear hormone receptor 0.003 0.0199 0.021
Entamoeba histolytica hypothetical protein 0.0035 0.0261 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.005 0.0445 0.047
Schistosoma mansoni hypothetical protein 0.0041 0.0334 0.0353
Loa Loa (eye worm) hypothetical protein 0.0052 0.0473 0.1356
Trypanosoma cruzi ISWI complex protein 0.003 0.0202 0.3677
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2164 0.2287
Echinococcus multilocularis microtubule associated protein 2 0.0768 0.9465 0.9465
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0292 0.349 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.005 0.0445 0.047
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0199 0.0571
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0186 0.2164 0.2287
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0149 0.1691 0.1691
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.002 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.002 0.0021
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.005 0.0445 0.9336
Brugia malayi hypothetical protein 0.0025 0.0137 0.0392
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0199 0.0571
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0199 0.021
Echinococcus granulosus methyl CpG binding domain protein 2 0.0034 0.0245 0.0259
Echinococcus multilocularis geminin 0.0338 0.4063 0.4063
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0021 0.0061
Echinococcus granulosus GPCR family 2 0.0016 0.002 0.0021
Schistosoma mansoni hypothetical protein 0.0338 0.4063 0.4293
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0084 0.0936
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0061

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.42 nM Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells ChEMBL. 20034793
IC50 (binding) = 1.1 nM Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells ChEMBL. 20034793
IC50 (binding) = 4.2 nM Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells ChEMBL. 20034793
IC50 (binding) = 620 nM Displacement of [I125]RTI-55 from human DAT transfected in human HEK293 cells ChEMBL. 20034793
IC50 (binding) > 10000 nM Displacement of [125I]nisoxetine from human NET transfected in human HEK293 cells ChEMBL. 20034793

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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