Detailed information for compound 1155103

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.61 | Formula: C28H36N4O3
  • H donors: 1 H acceptors: 1 LogP: 3.93 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cccc1N1CCN(CC1)CCCNC(=O)c1cc(n(c1C)C)c1ccccc1
  • InChi: 1S/C28H36N4O3/c1-21-23(20-25(30(21)2)22-10-6-5-7-11-22)28(33)29-14-9-15-31-16-18-32(19-17-31)24-12-8-13-26(34-3)27(24)35-4/h5-8,10-13,20H,9,14-19H2,1-4H3,(H,29,33)
  • InChiKey: CZXBPXYQHYAPBF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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 4 Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 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
Schistosoma japonicum Sodium-dependent dopamine 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
Onchocerca volvulus Get druggable targets OG5_128364 All targets in OG5_128364
Treponema pallidum sodium- and chloride- dependent transporter Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
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
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 japonicum ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative Get druggable targets OG5_128364 All targets in OG5_128364
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128364 All targets in OG5_128364
Brugia malayi Sodium:neurotransmitter symporter family protein 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
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
Schistosoma japonicum IPR000175,Sodium:neurotransmitter symporter,domain-containing 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) serotonin transporter b 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

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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi beta-lactamase 0.0074 0.0448 0.0676
Brugia malayi Glycosyl hydrolases family 31 protein 0.0074 0.045 0.068
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.0407 0.0615
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0013 0.0045
Schistosoma mansoni glutaminase 0.0295 0.2286 0.8012
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0013 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0013 0.0019
Echinococcus granulosus zinc finger protein 0.0023 0.0021 0.0032
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.0532 0.0494
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0013 0.0019
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0044 0.0196 0.0963
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0031 0.0089 0.0539
Onchocerca volvulus 0.0074 0.0448 0.3103
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0031 0.0089 0.0539
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0013 0.0045
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0119 0.0822 0.0786
Loa Loa (eye worm) hypothetical protein 0.0817 0.662 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Brugia malayi RNA recognition motif domain containing protein 0.0054 0.0284 0.0429
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0448 0.0676
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0013 0.0019
Plasmodium falciparum glutathione reductase 0.0037 0.0139 0.1272
Echinococcus granulosus intermediate filament protein 0.0041 0.0177 0.0268
Echinococcus granulosus tumor protein p63 0.0391 0.3085 0.4659
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0448 0.1957
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0028 0.0063 0.0284
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0156 0.0545
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0013 0.0019
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0013 0.0019
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0013 0.0088
Loa Loa (eye worm) bromodomain containing protein 0.002 0.0003 0.0004
Echinococcus multilocularis neutral alpha glucosidase AB 0.0074 0.045 0.068
Loa Loa (eye worm) hypothetical protein 0.0092 0.0599 0.0906
Onchocerca volvulus Huntingtin homolog 0.0162 0.118 0.8185
Trichomonas vaginalis phosphofructokinase, putative 0.0074 0.0447 0.1955
Onchocerca volvulus 0.0167 0.1217 0.8439
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0013 0.0045
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0031 0.0089 0.0539
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0448 0.2698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0013 0.0019
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0156 0.0235
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0448 0.5212
Brugia malayi Serine carboxypeptidase S28 family protein 0.0092 0.0599 0.0906
Brugia malayi steroid hormone receptor 0.0022 0.0013 0.0019
Loa Loa (eye worm) glutaminase 0.0295 0.2286 0.3454
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.005 0.0174
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0013 0.0019
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0178 0.0269
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0013 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.045 0.1969
Brugia malayi phosphofructokinase 0.0074 0.0447 0.0675
Trichomonas vaginalis maltase-glucoamylase, putative 0.0074 0.045 0.1969
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0028 0.0063 0.0377
Onchocerca volvulus 0.0194 0.1442 1
Echinococcus multilocularis tumor protein p63 0.0391 0.3085 0.4659
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2201 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0044 0.0196 0.1179
Schistosoma mansoni 6-phosphofructokinase 0.0074 0.0447 0.1566
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0013 0.0019
Giardia lamblia Kinase, CMGC MAPK 0.0044 0.0196 0.0888
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0122 0.0848 0.2972
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0028 0.0063 0.0377
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0119 0.0822 0.0786
Schistosoma mansoni lamin 0.0041 0.0177 0.0621
Schistosoma mansoni sodium/chloride dependent transporter 0.0073 0.0439 0.154
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.0532 0.0494
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.0904 0.1366
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0092 0.0599 0.0906
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0119 0.0822 1
Loa Loa (eye worm) beta-lactamase 0.0074 0.0448 0.0676
Echinococcus granulosus neuropeptide s receptor 0.0308 0.2392 0.3613
Echinococcus granulosus lamin 0.0041 0.0177 0.0268
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0054 0.0284 0.0429
Loa Loa (eye worm) hypothetical protein 0.0041 0.0171 0.0258
Plasmodium falciparum enoyl-acyl carrier reductase 0.0119 0.0822 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0041 0.0177 0.0268
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0119 0.0822 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0074 0.0447 0.0675
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.005 0.0075
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0139 0.1272
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.0532 0.0494
Echinococcus multilocularis lamin dm0 0.0041 0.0177 0.0268
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0209 0.1569 0.2371
Mycobacterium tuberculosis Probable reductase 0.0084 0.0532 0.0494
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0047 0.0226 0.0341
Brugia malayi glutathione reductase 0.0037 0.0139 0.021
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0448 0.041
Brugia malayi nuclear hormone receptor 0.0022 0.0013 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0284 0.0995
Echinococcus granulosus 6 phosphofructokinase 0.0074 0.0447 0.0675
Mycobacterium tuberculosis Conserved hypothetical protein 0.0116 0.0794 0.0758
Echinococcus granulosus lamin dm0 0.0041 0.0177 0.0268
Trypanosoma brucei glucosidase, putative 0.0074 0.045 0.2536
Leishmania major hypothetical protein, conserved 0.0074 0.0448 0.252
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0448 0.2698
Brugia malayi intermediate filament protein 0.0041 0.0177 0.0268
Onchocerca volvulus 0.0057 0.0309 0.214
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0025 0.004 0.0481
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0309 0.1081
Trichomonas vaginalis esterase, putative 0.0074 0.0448 0.1957
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0013 0.0019
Brugia malayi hypothetical protein 0.0039 0.0156 0.0235
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.0532 0.0494
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0139 0.021
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0203 0.0307
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0013 0.0019
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0028 0.0063 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0013 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0284 0.0995
Mycobacterium ulcerans beta-lactamase 0.0074 0.0448 0.041
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0119 0.0822 0.0786
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0013 0.0019
Leishmania major ATP-dependent phosphofructokinase 0.0074 0.0447 0.2516
Echinococcus granulosus metabotropic glutamate receptor 2 0.009 0.0581 0.0877
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0284 0.0995
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0448 0.0676
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0712
Toxoplasma gondii thioredoxin reductase 0.0037 0.0139 0.1692
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0013 0.0045
Schistosoma mansoni 6-phosphofructokinase 0.0074 0.0447 0.1566
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0119 0.0822 1
Echinococcus granulosus geminin 0.0363 0.2854 0.431
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.045 0.2714
Loa Loa (eye worm) hypothetical protein 0.0049 0.0243 0.0367
Mycobacterium ulcerans hypothetical protein 0.0074 0.0448 0.041
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0044 0.0196 0.0963
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0196 0.1179
Echinococcus multilocularis neuropeptide receptor A26 0.0308 0.2392 0.3613
Echinococcus granulosus tar DNA binding protein 0.0054 0.0284 0.0429
Loa Loa (eye worm) hypothetical protein 0.0044 0.0202 0.0305
Trichomonas vaginalis glutaminase, putative 0.0295 0.2286 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.0932 0.1408
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0013 0.0019
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0013 0.0019
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0448 0.1957
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.045 0.1969
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.099 0.0954
Schistosoma mansoni hypothetical protein 0.0024 0.0031 0.0109
Schistosoma mansoni hypothetical protein 0.0167 0.1217 0.4265
Brugia malayi Bromodomain containing protein 0.0044 0.0201 0.0304
Trichomonas vaginalis sucrase-isomaltase, putative 0.0074 0.045 0.1969
Brugia malayi follicle stimulating hormone receptor 0.0209 0.1569 0.2371
Mycobacterium ulcerans glutaminase 0.0295 0.2286 0.2256
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.045 0.1969
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0203 0.0307
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Entamoeba histolytica hypothetical protein 0.0039 0.0156 0.0707
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0013 0.0019
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0013 0.0045
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0307
Loa Loa (eye worm) norepinephrine transporter 0.0073 0.0439 0.0664
Entamoeba histolytica phosphofructokinase, putative 0.0074 0.0447 0.203
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0196 0.0685
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0448 0.041
Mycobacterium tuberculosis Conserved protein 0.0074 0.0448 0.041
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0028 0.0062 0.0093
Plasmodium vivax glutathione reductase, putative 0.0037 0.0139 0.1272
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.099 0.0954
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0013 0.0019
Mycobacterium leprae Probable lipase LipE 0.0074 0.0448 0.041
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.045 0.2714
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0013 0.0019
Loa Loa (eye worm) glutamate receptor 0.0107 0.0726 0.1096
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0074 0.045 0.1969
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Brugia malayi Serotonin receptor 0.0567 0.4549 0.6871
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0031 0.0089 0.0307
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.045 0.2045
Brugia malayi Receptor family ligand binding region containing protein 0.0028 0.0062 0.0093
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0013 0.0045
Trichomonas vaginalis phosphofructokinase, putative 0.0074 0.0447 0.1955
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0073 0.0439 0.0664
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1223 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0013 0.0019
Brugia malayi hypothetical protein 0.0817 0.662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0063 0.0274
Schistosoma mansoni intermediate filament proteins 0.0041 0.0177 0.0621
Onchocerca volvulus 0.0073 0.0439 0.3047
Brugia malayi ecdysteroid receptor 0.0022 0.0013 0.0019
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0013 0.0045
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0013 0.0045
Schistosoma mansoni alpha-glucosidase 0.0288 0.2228 0.7807
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0044 0.0196 0.0963
Entamoeba histolytica phosphofructokinase, putative 0.0074 0.0447 0.203
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0013 0.0019
Plasmodium falciparum thioredoxin reductase 0.0037 0.0139 0.1272
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.0532 0.0494
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0028 0.0062 0.0093
Onchocerca volvulus 0.0163 0.1189 0.8245
Echinococcus multilocularis lysosomal alpha glucosidase 0.0335 0.2615 0.3951
Schistosoma mansoni lysosomal Pro-Xaa carboxypeptidase (S28 family) 0.0092 0.0599 0.2101
Schistosoma mansoni lamin 0.0041 0.0177 0.0621
Brugia malayi hypothetical protein 0.0163 0.1189 0.1796
Loa Loa (eye worm) hypothetical protein 0.0028 0.0063 0.0095
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0013 0.0019
Brugia malayi metabotropic glutamate receptor type 2 0.0052 0.0268 0.0405
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0448 0.041
Entamoeba histolytica phosphofructokinase, putative 0.0074 0.0447 0.203
Echinococcus granulosus neuropeptide receptor A26 0.0308 0.2392 0.3613
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0448 0.041
Brugia malayi Glycosyl hydrolases family 31 protein 0.0335 0.2615 0.3951
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0196 0.0855
Onchocerca volvulus 0.0089 0.0569 0.3942
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0089 0.0569 0.0859
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0074 0.0447 0.0409
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.099 0.0954
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0063 0.0274
Schistosoma mansoni hypothetical protein 0.0039 0.0156 0.0545
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0028 0.0062 0.0093
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0712
Trypanosoma brucei glycosyl hydrolase-like protein 0.0028 0.0063 0.0142
Onchocerca volvulus 0.0074 0.0448 0.3103
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0448 0.041
Echinococcus multilocularis lamin 0.0041 0.0177 0.0268
Entamoeba histolytica hypothetical protein 0.0039 0.0156 0.0707
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0063 0.0274
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.2201 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.061 0.0573
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0074 0.045 0.068
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0139 0.0839
Brugia malayi Glycosyl hydrolases family 31 protein 0.0028 0.0063 0.0095
Loa Loa (eye worm) hypothetical protein 0.0073 0.0439 0.0664
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0196 0.0855
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0104 0.0697 0.4059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Loa Loa (eye worm) solute carrier family 6 member 4 0.0073 0.0439 0.0664
Trypanosoma brucei mitochondrial DNA polymerase beta 0.022 0.1659 1
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.2201 1
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0196 0.0855
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0013 0.0019
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0044 0.0196 0.1179
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0013 0.0019
Onchocerca volvulus 0.0041 0.0177 0.1228
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0073 0.0439 0.154
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0093 0.0141
Schistosoma mansoni alpha-glucosidase 0.0288 0.2228 0.7807
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1223 1 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0028 0.0063 0.0274
Echinococcus multilocularis mitogen activated protein kinase 3 0.0044 0.0196 0.0295
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0013 0.0019
Echinococcus multilocularis mitogen activated protein kinase 0.0044 0.0196 0.0295
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0044 0.0196 0.2378
Loa Loa (eye worm) hypothetical protein 0.0163 0.1189 0.1796
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0104 0.0697 0.4059
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0089 0.0569 0.1992
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0448 0.1957
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0104 0.0697 0.4201
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Echinococcus multilocularis serotonin transporter 0.0073 0.0439 0.0664
Onchocerca volvulus Huntingtin homolog 0.0162 0.118 0.8185
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.0139 0.01
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0013 0.0019
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Leishmania major trypanothione reductase 0.0037 0.0139 0.0615
Brugia malayi glutaminase DH11.1 0.0295 0.2286 0.3454
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0473 0.3762 0.3737
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0013 0.0019
Schistosoma mansoni coup transcription factor 0.0022 0.0013 0.0045
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0013 0.0088
Loa Loa (eye worm) 6-phosphofructokinase 0.0074 0.0447 0.0675
Echinococcus multilocularis zinc finger protein 0.0023 0.0021 0.0032
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.061 0.0573
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0013 0.0088
Loa Loa (eye worm) glutathione reductase 0.0037 0.0139 0.021
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0013 0.0019
Loa Loa (eye worm) hypothetical protein 0.0162 0.118 0.1783
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0047 0.0226 0.0341
Loa Loa (eye worm) glutamate receptor 0.0042 0.0184 0.0278
Echinococcus granulosus metabotropic glutamate receptor 5 0.0132 0.0932 0.1408
Brugia malayi MAP kinase sur-1 0.0044 0.0196 0.0295
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0013 0.0019
Schistosoma mansoni alpha glucosidase 0.0074 0.045 0.1577
Mycobacterium tuberculosis Conserved protein 0.0074 0.0448 0.041
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.0904 0.1366
Mycobacterium ulcerans TetR family transcriptional regulator 0.1223 1 1
Entamoeba histolytica hypothetical protein 0.0025 0.004 0.018
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.022 0.1659 1
Brugia malayi Thioredoxin reductase 0.0037 0.0139 0.021
Echinococcus multilocularis survival motor neuron protein 1 0.0817 0.662 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0063 0.0274
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0013 0.0019
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0022 0.0017 0.0026
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0097 0.0642 0.0969
Schistosoma mansoni bromodomain containing protein 0.0073 0.0442 0.1548
Loa Loa (eye worm) hypothetical protein 0.0041 0.0177 0.0268
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0013 0.0045
Echinococcus multilocularis geminin 0.0363 0.2854 0.431
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.0407 0.0615
Echinococcus granulosus mitogen activated protein kinase 3 0.0044 0.0196 0.0295
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0448 0.041
Loa Loa (eye worm) hypothetical protein 0.0073 0.0439 0.0664
Mycobacterium tuberculosis Conserved protein 0.0074 0.0448 0.041
Trichomonas vaginalis alpha-glucosidase, putative 0.0028 0.0063 0.0274
Echinococcus multilocularis L aminoadipate semialdehyde 0.0089 0.0569 0.0859
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0335 0.2615 0.3951
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.0532 0.0494
Mycobacterium ulcerans lipase LipD 0.0074 0.0448 0.041
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0167 0.1217 0.1838
Schistosoma mansoni survival motor neuron protein 0.0167 0.1217 0.4265
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0203 0.0307
Loa Loa (eye worm) PHD-finger family protein 0.0024 0.0031 0.0047
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0074 0.0447 0.1884
Schistosoma mansoni hypothetical protein 0.0363 0.2854 1
Entamoeba histolytica hypothetical protein 0.0039 0.0156 0.0707
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0092 0.0599 0.0906
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0203 0.0307
Loa Loa (eye worm) hypothetical protein 0.0082 0.0513 0.0775
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0448 0.1957
Loa Loa (eye worm) hypothetical protein 0.0092 0.0599 0.0906
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0013 0.0019
Brugia malayi hypothetical protein 0.0162 0.118 0.1783
Trypanosoma brucei trypanothione reductase 0.0037 0.0139 0.0615
Brugia malayi beta-lactamase family protein 0.0074 0.0448 0.0676
Brugia malayi Intermediate filament tail domain containing protein 0.0041 0.0177 0.0268
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0025 0.004 0.0481
Brugia malayi PHD-finger family protein 0.0029 0.0072 0.0109
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0448 0.041
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0028 0.0063 0.0434
Brugia malayi RNA binding protein 0.0054 0.0284 0.0429
Echinococcus multilocularis 6 phosphofructokinase 0.0074 0.0447 0.0675
Loa Loa (eye worm) hypothetical protein 0.0057 0.0309 0.0466
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0013 0.0019
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0074 0.0447 0.0409
Brugia malayi Bromodomain containing protein 0.0087 0.0554 0.0837
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0284 0.0995
Brugia malayi MH2 domain containing protein 0.0129 0.0904 0.1366
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0132 0.0932 0.1408
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0448 0.1957
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0448 0.041
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0013 0.0045
Schistosoma mansoni metabotropic glutamate receptor 0.0052 0.0268 0.0939
Brugia malayi 6-phosphofructokinase 0.0074 0.0447 0.0675
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0448 0.041
Loa Loa (eye worm) hypothetical protein 0.0162 0.118 0.1783
Echinococcus multilocularis lysosomal alpha glucosidase 0.0335 0.2615 0.3951
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.005 0.0075
Onchocerca volvulus 0.0041 0.0177 0.1228
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.061 0.0573
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0448 0.0676
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0448 0.0676
Toxoplasma gondii hypothetical protein 0.0035 0.0127 0.1545
Echinococcus multilocularis tar DNA binding protein 0.0054 0.0284 0.0429
Brugia malayi TAR-binding protein 0.0054 0.0284 0.0429
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.059 0.4735 0.7153
Schistosoma mansoni hypothetical protein 0.0363 0.2854 1
Mycobacterium ulcerans hypothetical protein 0.0116 0.0794 0.0758
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.061 0.0573
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0013 0.0019
Loa Loa (eye worm) phosphofructokinase 0.0074 0.0447 0.0675
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0448 0.041
Loa Loa (eye worm) hypothetical protein 0.0092 0.0599 0.0906
Brugia malayi 6-phosphofructokinase 0.0074 0.0447 0.0675
Onchocerca volvulus 0.0022 0.0013 0.0088
Trichomonas vaginalis hypothetical protein 0.0119 0.0822 0.3597
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0013 0.0019
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0178 0.0269
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0074 0.0447 0.2516
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0143 0.0216
Mycobacterium ulcerans 6-phosphofructokinase 0.0074 0.0447 0.0409
Loa Loa (eye worm) TAR-binding protein 0.0054 0.0284 0.0429
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.2201 1
Loa Loa (eye worm) intermediate filament protein 0.0041 0.0177 0.0268
Leishmania major alpha glucosidase II subunit, putative 0.0074 0.045 0.2536
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0448 0.252
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0143 0.0216
Loa Loa (eye worm) hypothetical protein 0.0022 0.0013 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.045 0.1969
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0013 0.0045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0013 0.0019
Schistosoma mansoni zinc finger protein 0.0023 0.0021 0.0074
Loa Loa (eye worm) hypothetical protein 0.0089 0.0569 0.0859
Echinococcus granulosus lysosomal alpha glucosidase 0.0335 0.2615 0.3951
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0013 0.0019
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0448 0.1568
Onchocerca volvulus 0.0074 0.0448 0.3103
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0448 0.1568
Echinococcus granulosus neutral alpha glucosidase AB 0.0074 0.045 0.068
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0013 0.0045
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0119 0.0822 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0439 0.0664
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0074 0.0447 0.2695
Mycobacterium ulcerans transcriptional regulator 0.1223 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.022 0.1659 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0013 0.0019
Brugia malayi beta-lactamase family protein 0.0074 0.0448 0.0676
Brugia malayi cytoplasmic intermediate filament protein 0.0022 0.0017 0.0026
Leishmania major mitochondrial DNA polymerase beta 0.022 0.1659 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0028 0.0063 0.0274
Echinococcus multilocularis neuropeptide s receptor 0.0308 0.2392 0.3613
Trichomonas vaginalis phosphofructokinase, putative 0.0074 0.0447 0.1955
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0712
Schistosoma mansoni metabotropic glutamate receptor 0.009 0.0581 0.2035
Echinococcus granulosus L aminoadipate semialdehyde 0.0089 0.0569 0.0859
Trypanosoma brucei protein kinase, putative 0.0044 0.0196 0.0963
Schistosoma mansoni lipoxygenase 0.0047 0.0226 0.0791
Loa Loa (eye worm) hypothetical protein 0.0074 0.0448 0.0676
Entamoeba histolytica hypothetical protein 0.0039 0.0156 0.0707
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0013 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.045 0.1969
Loa Loa (eye worm) hypothetical protein 0.0047 0.0225 0.0339
Echinococcus granulosus serotonin transporter 0.0073 0.0439 0.0664
Loa Loa (eye worm) RNA binding protein 0.0054 0.0284 0.0429
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0013 0.0019
Trichomonas vaginalis alpha-glucosidase, putative 0.0074 0.045 0.1969
Leishmania major glycosyl hydrolase-like protein 0.0028 0.0063 0.0142
Loa Loa (eye worm) serotonin transporter b 0.0073 0.0439 0.0664
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0074 0.045 0.2045
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0074 0.045 0.5473
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0044 0.0196 0.1179
Echinococcus multilocularis metabotropic glutamate receptor 2 0.009 0.0581 0.0877
Toxoplasma gondii ABC1 family protein 0.0074 0.0448 0.5442
Schistosoma mansoni tar DNA-binding protein 0.0054 0.0284 0.0995
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0038 0.0145 0.0877
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0044 0.0196 0.0295
Echinococcus granulosus mitogen activated protein kinase 0.0044 0.0196 0.0295
Trichomonas vaginalis CMGC family protein kinase 0.0044 0.0196 0.0855
Brugia malayi nuclear receptor NHR-88 0.0022 0.0013 0.0019
Brugia malayi Cytochrome P450 family protein 0.0031 0.0093 0.0141
Treponema pallidum sodium- and chloride- dependent transporter 0.0073 0.0439 0.185
Brugia malayi Metabotropic glutamate receptor precursor. 0.0107 0.0726 0.1096
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.2201 0.9627
Echinococcus granulosus survival motor neuron protein 1 0.0817 0.662 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0156 0.0235
Echinococcus multilocularis musashi 0.0041 0.0177 0.0268
Loa Loa (eye worm) glutaminase 2 0.0295 0.2286 0.3454
Trichomonas vaginalis phosphofructokinase, putative 0.0074 0.0447 0.1955

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 666 nM Displacement of [3H]ketanserin from human recombinant 5HT2A expressed in CHOK1 cells ChEMBL. 20637635
IC50 (binding) = 782 nM Displacement of [3H]mesulergine from human recombinant 5HT2C expressed in CHOK1 cells ChEMBL. 20637635
IC50 (binding) = 1259 nM Displacement of [3H]imipramine from human SERT expressed in HEK293 cells ChEMBL. 20637635

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.