Detailed information for compound 1596642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 481.438 | Formula: C22H26Cl2N4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1CCN(CC1)CCCNS(=O)(=O)c1cncc2c1cccc2.Cl
  • InChi: 1S/C22H25ClN4O2S.ClH/c23-19-6-8-20(9-7-19)27-14-12-26(13-15-27)11-3-10-25-30(28,29)22-17-24-16-18-4-1-2-5-21(18)22;/h1-2,4-9,16-17,25H,3,10-15H2;1H
  • InChiKey: INLUTKNMRYVVOU-UHFFFAOYSA-N  


Substructure search Similarity search

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 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor 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_133249 All targets in OG5_133249
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_145685 All targets in OG5_145685
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133074 All targets in OG5_133074
Echinococcus granulosus biogenic amine 5HT receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133074 All targets in OG5_133074
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_145685 All targets in OG5_145685
Schistosoma mansoni 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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
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 23.4 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
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 392 aa 20.7 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
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 436 aa 23.9 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi acetyl-CoA carboxylase 0.2023 0.4297 1
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0114 0.0124 0.0183
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1245 0.2595 1
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0114 0.0124 0.0176
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1245 0.2595 0.3697
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0052 0.0074
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.0176 0.025
Loa Loa (eye worm) glutamate receptor 0.0192 0.0292 0.0432
Schistosoma mansoni hypothetical protein 0.0177 0.0261 0.0261
Trypanosoma brucei 2-oxoglutarate dehydrogenase E2 component, putative 0.0114 0.0124 0.0176
Echinococcus multilocularis serotonin receptor 0.0158 0.0219 0.0312
Trypanosoma brucei dihydrolipoamide acetyltransferase E2 subunit, putative 0.0114 0.0124 0.0176
Echinococcus granulosus tm gpcr rhodopsin 0.1011 0.2084 0.2969
Brugia malayi metabotropic glutamate receptor type 2 0.0238 0.0393 0.058
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0079 0.0046 0.0068
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1245 0.2595 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2365 0.5044 0.4982
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.0146 0.0216
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.4632 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0158 0.0219 0.0312
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1245 0.2595 0.6039
Echinococcus granulosus GPCR family 3 C terminal 0.0079 0.0046 0.0066
Schistosoma mansoni aspartate carbamoyltransferase 0.0281 0.0489 0.0489
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0052 0.0052
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0443 0.0842 0.0842
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0442 0.0839 0.1239
Schistosoma mansoni pyruvate carboxylase 0.1245 0.2595 0.2595
Loa Loa (eye worm) hypothetical protein 0.009 0.0071 0.0105
Loa Loa (eye worm) hypothetical protein 0.0158 0.0219 0.0324
Echinococcus multilocularis expressed conserved protein 0.0091 0.0072 0.0103
Schistosoma mansoni biogenic amine (5HT) receptor 0.0158 0.0219 0.0219
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0114 0.0124 0.0288
Echinococcus multilocularis geminin 0.0177 0.0261 0.0371
Echinococcus multilocularis survival motor neuron protein 1 0.0479 0.0922 0.1313
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0443 0.0842 0.1199
Schistosoma mansoni biogenic amine (5HT) receptor 0.0466 0.0891 0.0891
Leishmania major dihydrolipoamide branched chain transacylase, putative 0.0114 0.0124 0.0176
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0114 0.0124 0.0176
Loa Loa (eye worm) hypothetical protein 0.0114 0.0124 0.0183
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0443 0.0842 0.2905
Schistosoma mansoni hypothetical protein 0.0177 0.0261 0.0261
Toxoplasma gondii preprocathepsin c precursor, putative 0.4632 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2365 0.5044 0.4982
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1245 0.2595 1
Trypanosoma brucei pyruvate dehydrogenase complex E3 binding protein, putative 0.0114 0.0124 0.0176
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3268 0.7019 0.6981
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1245 0.2595 0.2595
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0125 0.0146 0.0216
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1245 0.2595 0.3697
Echinococcus granulosus Biotin lipoyl attachment 0.0114 0.0124 0.0176
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0146 0.0216
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0114 0.0124 0.0288
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0114 0.0124 0.0288
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1245 0.2595 0.6039
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0443 0.0842 0.1199
Echinococcus granulosus biogenic amine 5HT receptor 0.0466 0.0891 0.127
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0443 0.0842 0.0727
Echinococcus granulosus survival motor neuron protein 1 0.0479 0.0922 0.1313
Brugia malayi Receptor family ligand binding region containing protein 0.0125 0.0146 0.0216
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.3154 0.6768 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0085 0.0776
Loa Loa (eye worm) hypothetical protein 0.0082 0.0052 0.0077
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0052 0.0077
Schistosoma mansoni survival motor neuron protein 0.0098 0.0087 0.0087
Mycobacterium ulcerans pyruvate carboxylase 0.1245 0.2595 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0443 0.0842 0.1199
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.4632 1 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0114 0.0124 0.0176
Onchocerca volvulus Phospholipase A2 homolog 0.009 0.0071 0.0322
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0443 0.0842 0.1199
Echinococcus multilocularis Biotin lipoyl attachment 0.0114 0.0124 0.0176
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0052 0.0074
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0085 0.0125
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0281 0.0489 0.0696
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0281 0.0489 0.1476
Brugia malayi Metabotropic glutamate receptor precursor. 0.0487 0.0939 0.1387
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1245 0.2595 0.2595
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3268 0.7019 0.6981
Onchocerca volvulus 0.0098 0.0087 0.0534
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0281 0.0489 0.0489
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0443 0.0842 0.2905
Giardia lamblia Dipeptidyl-peptidase I precursor 0.1758 0.3716 0.2946
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.1758 0.3716 0.3637
Leishmania major dihydrolipoamide acetyltransferase precursorlike protein 0.0114 0.0124 0.0176
Echinococcus multilocularis metabotropic glutamate receptor 5 0.06 0.1185 0.1688
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0557 0.1092 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.4632 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0443 0.0842 0.2905
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0443 0.0842 0.2905
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0114 0.0124 0.0183
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3268 0.7019 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0114 0.0124 0.0288
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0085 0.0121
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0281 0.0489 0.1137
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0408 0.0766 0.1091
Echinococcus granulosus geminin 0.0177 0.0261 0.0371
Toxoplasma gondii pyruvate carboxylase 0.1245 0.2595 0.2502
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0088 0.0088
Treponema pallidum pyruvate carboxylase subunit B 0.0114 0.0124 0.5
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0443 0.0842 0.1199
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0281 0.0489 0.0369
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0114 0.0124 0.0288
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0114 0.0124 0.0124
Leishmania major carbamoyl-phosphate synthase, putative 0.0281 0.0489 0.0696
Loa Loa (eye worm) hypothetical protein 0.0125 0.0146 0.0216
Onchocerca volvulus 0.0082 0.0052 0.0073
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0443 0.0842 0.2905
Echinococcus granulosus expressed conserved protein 0.0091 0.0072 0.0103
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0466 0.0891 0.127
Echinococcus multilocularis serotonin receptor 0.0158 0.0219 0.0312
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0087 0.0129
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1245 0.2595 0.3697
Plasmodium falciparum carbamoyl phosphate synthetase 0.0281 0.0489 0.0369
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0443 0.0842 0.3233
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1245 0.2595 1
Brugia malayi MH2 domain containing protein 0.0125 0.0146 0.0216
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0114 0.0124 0.0124
Loa Loa (eye worm) glutamate receptor 0.0487 0.0939 0.1387
Brugia malayi Phospholipase A2 family protein 0.009 0.0071 0.0105
Echinococcus granulosus metabotropic glutamate receptor 5 0.06 0.1185 0.1688
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0281 0.0489 0.0489
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0443 0.0842 0.2905
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0114 0.0124 0.0176
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1245 0.2595 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0443 0.0842 0.1959
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0281 0.0489 0.1137
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1245 0.2595 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0443 0.0842 0.2905
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0281 0.0489 0.1476
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0443 0.0842 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0443 0.0842 0.1959
Loa Loa (eye worm) hypothetical protein 0.0429 0.0812 0.12
Schistosoma mansoni acetyl-CoA carboxylase 0.3268 0.7019 0.7019
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.4632 1 1
Leishmania major carboxylase, putative 0.1245 0.2595 0.3697
Trypanosoma brucei unspecified product 0.0818 0.1663 0.2369
Leishmania major 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0114 0.0124 0.0176
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0125 0.0146 0.0216
Leishmania major dihydrolipoamide acetyltransferase precursor, putative 0.0114 0.0124 0.0176
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1245 0.2595 1
Schistosoma mansoni metabotropic glutamate receptor 0.0408 0.0766 0.0766
Leishmania major acetyl-CoA carboxylase, putative 0.3268 0.7019 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0124 0.0183
Echinococcus multilocularis GPCR, family 3, C terminal 0.0079 0.0046 0.0066
Giardia lamblia Encystation-specific protease 0.1758 0.3716 0.2946
Toxoplasma gondii cathepsin CPC2 0.1758 0.3716 0.3637
Loa Loa (eye worm) hypothetical protein 0.0097 0.0085 0.0125
Loa Loa (eye worm) hypothetical protein 0.0158 0.0219 0.0324
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1245 0.2595 0.3697
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0114 0.0124 0.0288
Loa Loa (eye worm) hypothetical protein 0.06 0.1185 0.1751
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0114 0.0124 0.0183
Trypanosoma brucei acetyl-CoA carboxylase 0.3268 0.7019 1
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0114 0.0124 0.0124
Schistosoma mansoni metabotropic glutamate receptor 0.0238 0.0393 0.0393
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.1758 0.3716 0.3637
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0443 0.0842 0.2905
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.0176 0.025
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0443 0.0842 0.2905
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.3268 0.7019 1
Schistosoma mansoni hypothetical protein 0.0079 0.0046 0.0046
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0443 0.0842 0.2905
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1245 0.2595 0.3697
Brugia malayi hypothetical protein 0.0479 0.0922 0.1362
Giardia lamblia Dipeptidyl-peptidase I precursor 0.1758 0.3716 0.2946
Toxoplasma gondii cathepsin CPC1 0.4632 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0554 0.1085 0.1085
Schistosoma mansoni hypothetical protein 0.0098 0.0087 0.0087
Onchocerca volvulus Phospholipase A2 homolog 0.0429 0.0812 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1011 0.2084 0.2969
Loa Loa (eye worm) hypothetical protein 0.0114 0.0124 0.0183
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.4632 1 1
Loa Loa (eye worm) hypothetical protein 0.0479 0.0922 0.1362
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0114 0.0124 0.0124
Toxoplasma gondii carbamoylphosphate synthetase 0.0281 0.0489 0.0369
Brugia malayi Carboxyl transferase domain containing protein 0.3154 0.6768 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0046 0.0068
Trypanosoma brucei dihydrolipoamide branched chain transacylase, putative 0.0114 0.0124 0.0176
Chlamydia trachomatis biotin carboxylase 0.113 0.2345 1
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0114 0.0124 0.0288
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0443 0.0842 0.2905
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0443 0.0842 0.1959
Echinococcus granulosus metabotropic glutamate receptor 2 0.0408 0.0766 0.1091
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.2874 0.6158 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0085 0.0121

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) Displacement of [3H]Ketanserin from rat cortex 5-HT2A receptor by liquid scintillation counter ChEMBL. 22277589
Ki (binding) = 113 nM Displacement of [3H]5-CT form human cloned 5HT7 receptor expressed in human HEK293 cells by liquid scintillation counter ChEMBL. 22277589
Ki (binding) = 888 nM Displacement of [3H]8-OH-DPAT from rat hippocampus 5-HT1A receptor by liquid scintillation counter ChEMBL. 22277589
Ki (binding) = 2757 nM Displacement of [3H]-LSD from human full length cloned 5HT6 receptor expressed in human HEK293 cells by liquid scintillation counter ChEMBL. 22277589

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.