Detailed information for compound 16267

Basic information

Technical information
  • TDR Targets ID: 16267
  • Name: 6-[4-(4-benzylpiperidin-1-yl)butyl]-3-methyl- 1,3-benzothiazol-2-one
  • MW: 394.573 | Formula: C24H30N2OS
  • H donors: 0 H acceptors: 1 LogP: 5.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)sc2c1ccc(c2)CCCCN1CCC(CC1)Cc1ccccc1
  • InChi: 1S/C24H30N2OS/c1-25-22-11-10-20(18-23(22)28-24(25)27)9-5-6-14-26-15-12-21(13-16-26)17-19-7-3-2-4-8-19/h2-4,7-8,10-11,18,21H,5-6,9,12-17H2,1H3
  • InChiKey: ZBVBPDNSLDPENM-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 6-[4-(4-benzyl-1-piperidyl)butyl]-3-methyl-1,3-benzothiazol-2-one
  • 6-[4-(4-benzyl-1-piperidinyl)butyl]-3-methyl-1,3-benzothiazol-2-one
  • 3-methyl-6-[4-[4-(phenylmethyl)piperidin-1-yl]butyl]-1,3-benzothiazol-2-one
  • 6-[4-(4-benzylpiperidino)butyl]-3-methyl-1,3-benzothiazol-2-one
  • 3-methyl-6-[4-[4-(phenylmethyl)-1-piperidyl]butyl]-1,3-benzothiazol-2-one
  • 3-methyl-6-[4-[4-(phenylmethyl)-1-piperidinyl]butyl]-1,3-benzothiazol-2-one
  • 6-[4-[4-(benzyl)-1-piperidyl]butyl]-3-methyl-1,3-benzothiazol-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Muscarinic acetylcholine receptor M1 Starlite/ChEMBL References
Rattus norvegicus Serotonin 2a (5-HT2a) receptor Starlite/ChEMBL References
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Starlite/ChEMBL References
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References
Rattus norvegicus Serotonin 3 (5-HT3) receptor Starlite/ChEMBL References
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Histamine H1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma cruzi C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Brugia malayi ERG2 and Sigma1 receptor like protein Get druggable targets OG5_131051 All targets in OG5_131051
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma mansoni biogenic amine (5HT) receptor Get druggable targets OG5_133249 All targets in OG5_133249
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania mexicana C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania braziliensis C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma japonicum ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative Get druggable targets OG5_133249 All targets in OG5_133249
Echinococcus multilocularis serotonin receptor Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum expressed protein Get druggable targets OG5_133249 All targets in OG5_133249
Schistosoma japonicum Octopamine receptor, putative Get druggable targets OG5_133249 All targets in OG5_133249
Leishmania major C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
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
Leishmania infantum C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus multilocularis serotonin receptor 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
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Candida albicans sterol C8-C7 isomerase Get druggable targets OG5_131051 All targets in OG5_131051
Trypanosoma brucei C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Drosophila melanogaster nicotinic Acetylcholine Receptor alpha2 Serotonin 3 (5-HT3) receptor   483 aa 541 aa 25.5 %
Echinococcus granulosus alpha 1A adrenergic receptor Serotonin 1a (5-HT1a) receptor   422 aa 452 aa 21.0 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.4 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Serotonin 2a (5-HT2a) receptor   471 aa 435 aa 23.0 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 407 aa 23.3 %
Echinococcus multilocularis biogenic amine (5HT) receptor Histamine H1 receptor   486 aa 511 aa 28.2 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Histamine H1 receptor   486 aa 533 aa 27.0 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 2a (5-HT2a) receptor   471 aa 405 aa 25.4 %
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative Serotonin 3 (5-HT3) receptor   483 aa 478 aa 25.1 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 390 aa 33.6 %
Schistosoma mansoni biogenic amine (dopamine) receptor Histamine H1 receptor   486 aa 500 aa 24.2 %
Loa Loa (eye worm) hypothetical protein Serotonin 1a (5-HT1a) receptor   422 aa 388 aa 26.5 %
Echinococcus multilocularis neuropeptides capa receptor Serotonin 1a (5-HT1a) receptor   422 aa 430 aa 20.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 1a (5-HT1a) receptor   422 aa 448 aa 29.7 %
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative Serotonin 3 (5-HT3) receptor   483 aa 514 aa 23.2 %
Schistosoma mansoni biogenic amine (dopamine) receptor Histamine H1 receptor   486 aa 500 aa 25.8 %
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 27.7 %
Echinococcus multilocularis alpha 1A adrenergic receptor Histamine H1 receptor   486 aa 497 aa 19.3 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.2 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 482 aa 25.1 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Serotonin 1a (5-HT1a) receptor   422 aa 410 aa 27.8 %
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 Serotonin 3 (5-HT3) receptor   483 aa 387 aa 25.6 %
Schistosoma mansoni biogenic amine receptor Histamine H1 receptor   486 aa 489 aa 25.4 %
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.9 %
Echinococcus multilocularis serotonin receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 392 aa 20.7 %
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein Serotonin 3 (5-HT3) receptor   483 aa 388 aa 21.9 %
Echinococcus multilocularis nAChR subunit Serotonin 3 (5-HT3) receptor   483 aa 495 aa 24.2 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 477 aa 26.6 %
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 482 aa 23.9 %
Echinococcus granulosus g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 24.3 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type des-2 homolog Serotonin 3 (5-HT3) receptor   483 aa 464 aa 24.8 %
Echinococcus granulosus orexin receptor type 2 Serotonin 1a (5-HT1a) receptor   422 aa 369 aa 22.0 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 473 aa 27.5 %
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 457 aa 26.7 %
Schistosoma mansoni histamine-responsive GPCR (AAF21638) Histamine H1 receptor   486 aa 514 aa 23.7 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 1a (5-HT1a) receptor   422 aa 383 aa 30.5 %
Loa Loa (eye worm) TYRA-2 protein Serotonin 1a (5-HT1a) receptor   422 aa 491 aa 27.3 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Histamine H1 receptor   486 aa 491 aa 25.7 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 436 aa 23.9 %
Onchocerca volvulus Acetylcholine receptor subunit alpha-type homolog Serotonin 3 (5-HT3) receptor   483 aa 465 aa 27.3 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 489 aa 31.3 %
Brugia malayi Cation transporter family protein Serotonin 3 (5-HT3) receptor   483 aa 507 aa 28.2 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 432 aa 23.6 %
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Serotonin 1a (5-HT1a) receptor   422 aa 417 aa 21.1 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Serotonin 1a (5-HT1a) receptor   422 aa 339 aa 23.0 %
Schistosoma japonicum Octopamine receptor 1, putative Serotonin 1a (5-HT1a) receptor   422 aa 424 aa 24.3 %
Schistosoma japonicum Octopamine receptor, putative Histamine H1 receptor   486 aa 469 aa 26.4 %
Onchocerca volvulus 39S ribosomal protein L13, mitochondrial homolog Serotonin 3 (5-HT3) receptor   483 aa 490 aa 31.0 %
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 470 aa 26.8 %
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.4 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Serotonin 1a (5-HT1a) receptor   422 aa 477 aa 24.3 %
Echinococcus granulosus biogenic amine 5HT receptor Muscarinic acetylcholine receptor M1   460 aa 432 aa 26.6 %
Schistosoma mansoni amine GPCR Serotonin 1a (5-HT1a) receptor   422 aa 440 aa 31.6 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 461 aa 24.3 %
Echinococcus multilocularis g protein coupled receptor Serotonin 1a (5-HT1a) receptor   422 aa 433 aa 22.4 %
Schistosoma mansoni biogenic amine (dopamine) receptor Histamine H1 receptor   486 aa 528 aa 24.4 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Serotonin 1a (5-HT1a) receptor   422 aa 444 aa 29.3 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Histamine H1 receptor   486 aa 459 aa 27.9 %
Loa Loa (eye worm) acetylcholine receptor alpha subunit Serotonin 3 (5-HT3) receptor   483 aa 484 aa 26.0 %
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor Serotonin 1a (5-HT1a) receptor   422 aa 350 aa 20.6 %
Brugia malayi acetylcholine receptor alpha subunit precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 463 aa 26.8 %
Echinococcus granulosus biogenic amine 5HT receptor Histamine H1 receptor   486 aa 509 aa 29.3 %
Schistosoma mansoni biogenic amine receptor Histamine H1 receptor   486 aa 482 aa 22.4 %
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit Serotonin 3 (5-HT3) receptor   483 aa 445 aa 25.6 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-3 precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 505 aa 21.2 %
Onchocerca volvulus Large subunit GTPase 1 homolog Serotonin 3 (5-HT3) receptor   483 aa 394 aa 19.3 %
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) Serotonin 3 (5-HT3) receptor   483 aa 503 aa 22.3 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Histamine H1 receptor   486 aa 492 aa 23.8 %
Onchocerca volvulus Serotonin 3 (5-HT3) receptor   483 aa 452 aa 29.2 %
Onchocerca volvulus Putative zinc finger protein Serotonin 3 (5-HT3) receptor   483 aa 489 aa 25.8 %
Onchocerca volvulus Serotonin 1a (5-HT1a) receptor   422 aa 426 aa 29.6 %
Schistosoma japonicum Neuronal acetylcholine receptor subunit alpha-9-II precursor, putative Serotonin 3 (5-HT3) receptor   483 aa 457 aa 24.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0193 0.1293 0.356
Echinococcus granulosus single minded 2 0.0041 0.009 0.0001
Brugia malayi hypoxia-induced factor 1 0.0172 0.1122 0.3237
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.0548 0.1355
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.0335 0.0726
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0314 0.2246 0.6382
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0178 0.026
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0229 0.041
Loa Loa (eye worm) hypothetical protein 0.0186 0.1236 0.3566
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0212 0.0359
Trichomonas vaginalis set domain proteins, putative 0.0465 0.3436 1
Brugia malayi hypothetical protein 0.0186 0.1236 0.3566
Echinococcus granulosus thymidylate synthase 0.0469 0.3468 1
Loa Loa (eye worm) camk/mapkapk/mnk protein kinase 0.043 0.3163 0.9122
Schistosoma mansoni aryl hydrocarbon receptor 0.0055 0.0204 0.0338
Schistosoma mansoni gabp alpha 0.0072 0.0335 0.0726
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0178 0.026
Onchocerca volvulus 0.0465 0.3436 0.3762
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0229 0.041
Loa Loa (eye worm) hypothetical protein 0.0318 0.2275 0.6562
Echinococcus multilocularis thymidylate synthase 0.0469 0.3468 1
Echinococcus granulosus geminin 0.0193 0.1293 0.356
Brugia malayi Ets-domain containing protein 0.0072 0.0335 0.0967
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.3278 0.9455
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0229 0.041
Toxoplasma gondii melibiase subfamily protein 0.0099 0.0548 0.0985
Trichomonas vaginalis conserved hypothetical protein 0.0223 0.1527 0.3937
Brugia malayi Protein kinase domain containing protein 0.043 0.3163 0.9122
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0314 0.2246 0.3703
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0229 0.041
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0469 0.3468 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0178 0.026
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0099 0.0548 0.1355
Brugia malayi Fli-1 protein 0.0219 0.1495 0.431
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0099 0.0548 0.1355
Schistosoma mansoni biogenic amine (5HT) receptor 0.0163 0.1053 0.2851
Loa Loa (eye worm) hypothetical protein 0.0066 0.0287 0.0829
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0314 0.2246 0.5448
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0129 0.0783 0.2259
Brugia malayi follicle stimulating hormone receptor 0.0238 0.1647 0.4749
Brugia malayi PAS domain containing protein 0.0055 0.0204 0.0589
Loa Loa (eye worm) thymidylate synthase 0.0469 0.3468 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0238 0.1647 0.4749
Trypanosoma brucei RNA helicase, putative 0.0205 0.1386 0.2245
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0229 0.041
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0287 0.0584
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0178 0.0514
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0314 0.2246 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.009 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Schistosoma mansoni single-minded 0.0055 0.0204 0.0338
Echinococcus multilocularis geminin 0.0193 0.1293 0.356
Brugia malayi bHLH-PAS transcription factor 0.0041 0.009 0.0261
Brugia malayi hypothetical protein 0.0041 0.009 0.026
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.0548 0.1355
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0469 0.3468 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1053 0.3037
Mycobacterium ulcerans thymidylate synthase 0.0469 0.3468 1
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0129 0.0783 0.2052
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0314 0.2246 0.6228
Echinococcus granulosus biogenic amine 5HT receptor 0.0163 0.1053 0.2851
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.0335 0.0726
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0178 0.026
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0229 0.041
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Loa Loa (eye worm) hypothetical protein 0.0062 0.0253 0.0729
Brugia malayi Pre-SET motif family protein 0.0408 0.299 0.8624
Onchocerca volvulus 0.0469 0.3468 0.3798
Brugia malayi Pre-SET motif family protein 0.0059 0.0229 0.0659
Loa Loa (eye worm) hypothetical protein 0.0059 0.0229 0.0659
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0314 0.2246 0.6382
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0099 0.0548 0.1355
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0178 0.026
Brugia malayi hypothetical protein 0.0122 0.0729 0.2102
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0229 0.041
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.0548 0.1355
Loa Loa (eye worm) hypothetical protein 0.0163 0.1053 0.3037
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0099 0.0548 0.1355
Schistosoma mansoni ets-related 0.0219 0.1495 0.4158
Entamoeba histolytica hypothetical protein 0.0041 0.009 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0314 0.2246 0.6382
Brugia malayi Ets-domain containing protein 0.0072 0.0335 0.0967
Entamoeba histolytica hypothetical protein 0.0041 0.009 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0178 0.026
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0129 0.0783 0.2052
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0066 0.0287 0.0584
Loa Loa (eye worm) hypoxia-induced factor 1 0.0172 0.1122 0.3237
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0223 0.1527 0.277
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.0335 0.0967
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.3278 0.9295
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.299 0.8624
Loa Loa (eye worm) hypothetical protein 0.0445 0.3278 0.9455
Loa Loa (eye worm) fli-1 protein 0.0219 0.1495 0.431
Echinococcus multilocularis serotonin receptor 0.0163 0.1053 0.2851
Loa Loa (eye worm) hypothetical protein 0.0227 0.1561 0.4503
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0178 0.026
Onchocerca volvulus 0.1167 0.8983 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0178 0.0514
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0469 0.3468 1
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0129 0.0783 0.1713
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.3278 0.9295
Schistosoma mansoni hypothetical protein 0.0193 0.1293 0.356
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.3278 0.9295
Echinococcus multilocularis transfer RNA-Lys 0.0041 0.009 0.0001
Schistosoma mansoni hypothetical protein 0.0205 0.1386 0.3836
Entamoeba histolytica hypothetical protein 0.0041 0.009 1
Echinococcus granulosus uridine 5' monophosphate synthase 0.0129 0.0783 0.2052
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0129 0.0783 0.2052
Brugia malayi orotate phosphoribosyltransferase family protein 0.0129 0.0783 0.2259
Brugia malayi hypothetical protein 0.0223 0.1527 0.4404
Onchocerca volvulus 0.0059 0.0229 0.0155
Echinococcus multilocularis serotonin receptor 0.0163 0.1053 0.2851
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0469 0.3468 1
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0129 0.0783 0.1713
Schistosoma mansoni hypothetical protein 0.005 0.0161 0.0209
Brugia malayi thymidylate synthase 0.0469 0.3468 1
Brugia malayi Melibiase family protein 0.0066 0.0287 0.0829

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5 nM In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG ChEMBL. 11934576
Ki (binding) = 5 nM In vitro binding affinity for Sigma opioid receptor by displacement of [3H]-DTG ChEMBL. 11934576
Ki (binding) = 9 nM Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor ChEMBL. 11934576
Ki (binding) = 9 nM Displacement of [3H]- pyrilamine from rat brain membrane Histamine H1 receptor ChEMBL. 11934576
Ki (binding) = 30 nM Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor ChEMBL. 11934576
Ki (binding) = 30 nM Displacement of [3H]-prazosin from rat cortex membrane 5-hydroxytryptamine 1A receptor ChEMBL. 11934576
Ki (binding) = 100 nM Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2 ChEMBL. 11934576
Ki (binding) = 100 nM Displacement of [3H]- raclopride from rat striatum Dopamine receptor D2 ChEMBL. 11934576
Ki (functional) = 200 nM Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- pyrilamine from rat brain membrane ChEMBL. 11934576
Ki (functional) = 200 nM Compound was evaluated in vitro for its binding affinity towards Muscarinic acetylcholine receptor M1 by displacing [3H]- pyrilamine from rat brain membrane ChEMBL. 11934576
Ki (binding) = 700 nM Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor ChEMBL. 11934576
Ki (binding) = 700 nM Displacement of [3H]-8-OH-DPAT from rat hippocampus membrane 5-hydroxytryptamine 2A receptor ChEMBL. 11934576
Ki (binding) = 2000 nM Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor ChEMBL. 11934576
Ki (binding) = 2000 nM Displacement of [3H]-ketanserin from rat cortex 5-HT3 receptor ChEMBL. 11934576
Ratio (binding) = 0.17 Binding affinity ratio towards sigma receptor compared to the 5-hydroxytryptamine 1A receptor ChEMBL. 11934576

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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