Detailed information for compound 44590

Basic information

Technical information
  • TDR Targets ID: 44590
  • Name: 2-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]- 5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1, 3-dione
  • MW: 406.521 | Formula: C24H30N4O2
  • H donors: 0 H acceptors: 2 LogP: 3.44 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1N2CCCC2C(=O)N1CCCCN1CCN(CC1)c1cccc2c1cccc2
  • InChi: 1S/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,22H,3-4,6,11-18H2
  • InChiKey: YJPRMXNHNXUZKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[4-[4-(1-naphthyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione
  • 2-[4-[4-(1-naphthalenyl)-1-piperazinyl]butyl]-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione
  • 2-[4-[4-(1-naphthyl)piperazino]butyl]-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-quinone
  • 2-[4-[4-(1-naphthyl)-1-piperazinyl]butyl]-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-dione
  • 2-[4-[4-(1-naphthyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[2,1-e]imidazole-1,3-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References
Rattus norvegicus Adrenergic receptor alpha-1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0149 0.1668 0.1668
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0396 0.0396
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0396 0.0509
Brugia malayi Guanylyl cyclase protein 23 0.0055 0.0281 0.035
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0281 0.0281
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0055 0.0281 0.0281
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0371 0.0371
Schistosoma mansoni hypothetical protein 0.0171 0.1989 0.2005
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0068 0.0476 0.199
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0396 0.0509
Brugia malayi hypothetical protein 0.0244 0.3056 0.3808
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0396 0.0509
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0662 0.9196 0.927
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0011 0.0011
Echinococcus granulosus microtubule associated protein 2 0.0712 0.9921 0.9921
Plasmodium vivax apurinic/apyrimidinic endonuclease Apn1, putative 0.0079 0.0637 0.0828
Echinococcus granulosus biogenic amine 5HT receptor 0.0307 0.3985 0.3985
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0073 0.0544 0.0548
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0055 0.0055
Loa Loa (eye worm) hypothetical protein 0.0095 0.0864 0.0864
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0281 0.0281
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2887 0.3802
Loa Loa (eye worm) hypothetical protein 0.0717 1 1
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0078 0.0078
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0425 0.5712 0.5712
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0095 0.0864 0.1301
Echinococcus granulosus glutamate receptor 2 0.0055 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0104 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.3151 0.3151
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.0892 0.0892
Leishmania major extracellular receptor, putative 0.0055 0.0281 0.0672
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0528 0.7221 0.8998
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0396 0.0396
Loa Loa (eye worm) hypothetical protein 0.0307 0.3985 0.3985
Mycobacterium tuberculosis Probable glutamine synthetase GlnA3 (glutamine synthase) (GS-I) 0.0364 0.4812 0.6346
Wolbachia endosymbiont of Brugia malayi glutamine synthetase 0.0364 0.4812 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0068 0.0476 0.0476
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Echinococcus multilocularis serotonin receptor 0.0307 0.3985 0.3985
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0207 0.0258
Mycobacterium leprae GLUTAMINE SYNTHETASE GLNA1 (GLUTAMINE SYNTHASE) (Glutamate--ammonia ligase 1) (GS-I) 0.0242 0.3027 0.3987
Mycobacterium leprae PROBABLE ENDONUCLEASE IV END (ENDODEOXYRIBONUCLEASE IV) (APURINASE) 0.0079 0.0637 0.0828
Onchocerca volvulus Poor gastrulation protein homolog 0.0095 0.0864 0.1301
Onchocerca volvulus 0.0484 0.6573 1
Mycobacterium tuberculosis Glutamine synthetase GlnA1 (glutamine synthase) (GS-I) 0.0242 0.3027 0.3987
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0068 0.0476 0.048
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0371 0.0477
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0396 0.0509
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0011 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0371 0.0374
Mycobacterium tuberculosis Probable glutamine synthetase GlnA4 (glutamine synthase) (GS-II) 0.0242 0.3027 0.3987
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0055 0.0281 0.035
Schistosoma mansoni survival motor neuron protein 0.005 0.0207 0.0208
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0476 0.1159
Leishmania major glutamine synthetase, putative 0.031 0.4026 1
Mycobacterium leprae PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II) 0.0552 0.7577 1
Mycobacterium tuberculosis Probable endonuclease IV End (endodeoxyribonuclease IV) (apurinase) 0.0079 0.0637 0.0828
Brugia malayi Pre-SET motif family protein 0.0425 0.5712 0.7118
Loa Loa (eye worm) glutamate receptor 0.0583 0.8025 0.8025
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0396 0.0509
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0055 0.0281 0.0281
Echinococcus multilocularis geminin 0.0171 0.1989 0.1989
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0068 0.0476 0.0593
Plasmodium falciparum glutamine synthetase, putative 0.0552 0.7577 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0051 0.0218 0.0218
Brugia malayi Receptor family ligand binding region containing protein 0.0149 0.1668 0.2079
Loa Loa (eye worm) glutamate receptor 0.0229 0.284 0.284
Schistosoma mansoni glutamate receptor NMDA 0.0055 0.0281 0.0283
Schistosoma mansoni metabotropic glutamate receptor 0.0284 0.3643 0.3672
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0338 0.0338
Onchocerca volvulus 0.0073 0.0544 0.0812
Schistosoma mansoni tyrosine kinase 0.0055 0.0281 0.0283
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0371 0.0374
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0371 0.0371
Plasmodium vivax glutamine synthetase, putative 0.0552 0.7577 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0068 0.0476 0.0476
Trichomonas vaginalis glutamine synthetase-bacteria, putative 0.0122 0.1262 0.1907
Echinococcus multilocularis Ankyrin repeat domain containing protein 0.0093 0.0837 0.0837
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0068 0.0476 0.0476
Echinococcus granulosus receptor type guanylyl cyclase 0.0055 0.0281 0.0281
Brugia malayi Receptor family ligand binding region containing protein 0.0055 0.0281 0.035
Echinococcus granulosus GPCR family 3 C terminal 0.0095 0.0864 0.0864
Brugia malayi Pre-SET motif family protein 0.0061 0.0371 0.0463
Echinococcus granulosus survival motor neuron protein 1 0.0244 0.3056 0.3056
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0281 0.0281
Mycobacterium ulcerans hypothetical protein 0.0122 0.1262 0.1654
Plasmodium vivax SET domain protein, putative 0.0061 0.0371 0.0477
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Echinococcus granulosus metabotropic glutamate receptor 2 0.0488 0.6637 0.6637
Schistosoma mansoni glutamine synthetase bacteria 0.0364 0.4812 0.4851
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Mycobacterium ulcerans glutamine synthetase GlnA1 0.0552 0.7577 1
Echinococcus multilocularis survival motor neuron protein 1 0.0244 0.3056 0.3056
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0371 0.0371
Schistosoma mansoni biogenic amine (5HT) receptor 0.0307 0.3985 0.4017
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Entamoeba histolytica glutamine synthetase, putative 0.0122 0.1262 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0055 0.0055
Echinococcus granulosus Ankyrin repeat domain containing protein 0.0093 0.0837 0.0837
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0011 0.0011
Trichomonas vaginalis glutamine synthetase, putative 0.0122 0.1262 0.1907
Echinococcus granulosus glutamine synthetase 0.031 0.4026 0.4026
Echinococcus granulosus atrial natriuretic peptide receptor 0.0055 0.0281 0.0281
Echinococcus multilocularis receptor type guanylyl cyclase 0.0055 0.0281 0.0281
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0601 0.0606
Loa Loa (eye worm) hypothetical protein 0.0104 0.101 0.101
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0281 0.0281
Trichomonas vaginalis set domain proteins, putative 0.0484 0.6573 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0371 0.0374
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0396 0.0959
Schistosoma mansoni protein kinase 0.0055 0.0281 0.0283
Loa Loa (eye worm) hypothetical protein 0.0055 0.0281 0.0281
Loa Loa (eye worm) Gln-2 protein 0.031 0.4026 0.4026
Brugia malayi Metabotropic glutamate receptor precursor. 0.0583 0.8025 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0242 0.3027 0.3987
Schistosoma mansoni tyrosine kinase 0.0055 0.0281 0.0283
Loa Loa (eye worm) hypothetical protein 0.0079 0.0637 0.0637
Onchocerca volvulus 0.0104 0.101 0.1522
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0068 0.0476 0.1159
Echinococcus granulosus nmda type glutamate receptor 0.0055 0.0281 0.0281
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0396 0.0399
Onchocerca volvulus 0.0055 0.0281 0.0411
Brugia malayi hypothetical protein 0.0126 0.1319 0.1644
Schistosoma mansoni microtubule-associated protein tau 0.0712 0.9921 1
Brugia malayi beta-lactamase 0.0036 0.0011 0.0013
Entamoeba histolytica glutamine synthetase, putative 0.0122 0.1262 1
Echinococcus granulosus tyrosine kinase 0.0055 0.0281 0.0281
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0078 0.0078
Loa Loa (eye worm) beta-lactamase 0.0036 0.0011 0.0011
Brugia malayi metabotropic glutamate receptor type 2 0.0284 0.3643 0.454
Mycobacterium tuberculosis Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II) 0.0552 0.7577 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0281 0.0281
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0244 0.3056 0.3056
Toxoplasma gondii endonuclease IV APN 0.0079 0.0637 0.0828
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0476 0.1159
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0369 0.0369
Schistosoma mansoni glutamine synthetase 1 2 (glutamate-amonia ligase) (gs) 0.031 0.4026 0.4059
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0093 0.0837 0.0844
Brugia malayi hypothetical protein 0.0104 0.101 0.1258
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.0892 0.0892
Trypanosoma cruzi glutamine synthetase, putative 0.031 0.4026 1
Trypanosoma cruzi glutamine synthetase, putative 0.031 0.4026 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0171 0.1989 0.2005
Onchocerca volvulus 0.005 0.0207 0.0299
Brugia malayi M-phase phosphoprotein, mpp8 0.0104 0.101 0.1258
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0149 0.1668 0.1668
Mycobacterium ulcerans glutamine synthetase 0.0552 0.7577 1
Onchocerca volvulus 0.0104 0.101 0.1522
Brugia malayi DNA-(Apurinic or apyrimidinic site) lyase 0.0079 0.0637 0.0794
Echinococcus multilocularis serotonin receptor 0.0307 0.3985 0.3985
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0281 0.0281
Mycobacterium ulcerans endonuclease IV 0.0079 0.0637 0.0828
Brugia malayi beta-lactamase family protein 0.0036 0.0011 0.0013
Brugia malayi hypothetical protein 0.0055 0.0281 0.035
Schistosoma mansoni multiple ankyrin repeats single kh domain protein 0.0093 0.0837 0.0844
Echinococcus multilocularis glutamine synthetase 0.031 0.4026 0.4026
Loa Loa (eye worm) hypothetical protein 0.0327 0.4278 0.4278
Echinococcus multilocularis GPCR, family 3, C terminal 0.0095 0.0864 0.0864
Onchocerca volvulus 0.0055 0.0281 0.0411
Trypanosoma brucei glutamine synthetase, putative 0.031 0.4026 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0717 1 1
Trypanosoma cruzi extracellular receptor, putative 0.0055 0.0281 0.0672
Echinococcus multilocularis tyrosine kinase 0.0055 0.0281 0.0281
Loa Loa (eye worm) hypothetical protein 0.0307 0.3985 0.3985
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0396 0.0399
Echinococcus multilocularis glutamate receptor 2 0.0055 0.0281 0.0281
Echinococcus granulosus glutamate receptor 2 0.0055 0.0281 0.0281
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0011 0.0011
Brugia malayi follicle stimulating hormone receptor 0.025 0.3151 0.3926
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0068 0.0476 0.1159
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0055 0.0281 0.0281
Chlamydia trachomatis endonuclease IV 0.0079 0.0637 0.5
Toxoplasma gondii glutamine synthetase, type I, putative 0.0552 0.7577 1
Schistosoma mansoni metabotropic glutamate receptor 0.0488 0.6637 0.669
Echinococcus multilocularis nmda type glutamate receptor 0.0055 0.0281 0.0281
Mycobacterium ulcerans hypothetical protein 0.0242 0.3027 0.3987
Echinococcus multilocularis microtubule associated protein 2 0.0712 0.9921 0.9921
Loa Loa (eye worm) RGC/RGC protein kinase 0.0055 0.0281 0.0281
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0055 0.0281 0.0281
Brugia malayi beta-lactamase family protein 0.0036 0.0011 0.0013
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0055 0.0281 0.0281
Onchocerca volvulus Glutamine synthetase homolog 0.031 0.4026 0.6119
Schistosoma mansoni hypothetical protein 0.005 0.0207 0.0208
Schistosoma mansoni hypothetical protein 0.0095 0.0864 0.0871
Brugia malayi jmjC domain containing protein 0.0096 0.0892 0.1112
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0149 0.1668 0.1668
Echinococcus granulosus geminin 0.0171 0.1989 0.1989
Loa Loa (eye worm) hypothetical protein 0.0036 0.0011 0.0011
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0488 0.6637 0.6637
Schistosoma mansoni glutamine synthetase bacteria 0.0364 0.4812 0.4851
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0011 0.0013
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0055 0.0281 0.0411
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0055 0.0281 0.0281
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0095 0.0864 0.1077
Loa Loa (eye worm) hypothetical protein 0.0061 0.0371 0.0371

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 2.4 nM Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand ChEMBL. 12668005
Ki (binding) = 2.4 nM In vitro inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes ChEMBL. 15801844
Ki (binding) = 2.4 nM Binding affinity of the compound towards 5-HT 1A receptor in rat cerebral cortex membranes using [3H]-8-OH-DPAT as radioligand ChEMBL. 12668005
Ki (binding) = 2.4 nM In vitro inhibition of [3H]-8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes ChEMBL. 15801844
Ki (binding) = 2.4 nM Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in EBNA gene-positive HEK293 cells after 120 mins ChEMBL. 24900203
Ki (binding) = 64.9 nM Binding affinity of the compound towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]-prazosin as radioligand ChEMBL. 12668005
Ki (binding) = 64.9 nM In vitro inhibition of [3H]-prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes ChEMBL. 15801844
Ki (binding) = 64.9 nM Binding affinity of the compound towards Alpha-1 adrenergic receptor in rat cerebral cortex membranes using [3H]-prazosin as radioligand ChEMBL. 12668005
Ki (binding) = 64.9 nM In vitro inhibition of [3H]-prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes ChEMBL. 15801844

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

3 literature references were collected for this gene.

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