Detailed information for compound 55008

Basic information

Technical information
  • TDR Targets ID: 55008
  • Name: 1'-benzylspiro[3,4-dihydrothiochromene-2,4'-p iperidine] 1,1-dioxide
  • MW: 341.467 | Formula: C20H23NO2S
  • H donors: 0 H acceptors: 2 LogP: 3.45 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)c2ccccc2CCC21CCN(CC2)Cc1ccccc1
  • InChi: 1S/C20H23NO2S/c22-24(23)19-9-5-4-8-18(19)10-11-20(24)12-14-21(15-13-20)16-17-6-2-1-3-7-17/h1-9H,10-16H2
  • InChiKey: UONOFUIISFOZLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1'-benzylspiro[3,4-dihydro-1-benzothiopyran-2,4'-piperidine] 1,1-dioxide
  • 1'-(phenylmethyl)spiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide
  • 1'-(benzyl)spiro[3,4-dihydrothiochromene-2,4'-piperidine] 1,1-dioxide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate [NMDA] receptor subunit epsilon 3 Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled References
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M3 Starlite/ChEMBL References
Homo sapiens sigma non-opioid intracellular receptor 1 Starlite/ChEMBL References
Rattus norvegicus Muscarinic acetylcholine receptor M2 Starlite/ChEMBL References
Rattus norvegicus Alpha-1b adrenergic receptor Starlite/ChEMBL References
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled References
Rattus norvegicus Alpha-1a adrenergic receptor Starlite/ChEMBL References
Rattus norvegicus Opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Serotonin receptor Get druggable targets OG5_135430 All targets in OG5_135430
Leishmania major 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 gambiense C-8 sterol isomerase, putative 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
Schistosoma mansoni amine GPCR Get druggable targets OG5_128924 All targets in OG5_128924
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_129290 All targets in OG5_129290
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus granulosus hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Echinococcus multilocularis conserved hypothetical protein Get druggable targets OG5_144688 All targets in OG5_144688
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133264 All targets in OG5_133264
Leishmania infantum C-8 sterol isomerase-like protein 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
Trypanosoma congolense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Get druggable targets OG5_128924 All targets in OG5_128924
Leishmania donovani C-8 sterol isomerase-like 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
Leishmania braziliensis 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_133264 All targets in OG5_133264
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Schistosoma japonicum Alpha-1D adrenergic receptor, putative Get druggable targets OG5_128924 All targets in OG5_128924
Echinococcus multilocularis glutamate (NMDA) receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
Schistosoma japonicum ko:K05314 glutamate receptor, ionotropic, N-methyl-D-aspartate 2, invertebrate, putative Get druggable targets OG5_129290 All targets in OG5_129290
Brugia malayi ERG2 and Sigma1 receptor 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
Echinococcus granulosus glutamate NMDA receptor subunit Get druggable targets OG5_129290 All targets in OG5_129290
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis thyrotropin releasing hormone receptor Opioid receptor   372 aa 330 aa 24.2 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Muscarinic acetylcholine receptor M2   466 aa 461 aa 23.9 %
Echinococcus granulosus g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 399 aa 20.8 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 484 aa 24.4 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Echinococcus granulosus thyrotropin releasing hormone receptor Opioid receptor   372 aa 330 aa 24.5 %
Echinococcus multilocularis g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 414 aa 20.3 %
Echinococcus multilocularis neuropeptide Y receptor Alpha-1a adrenergic receptor   466 aa 419 aa 19.6 %
Echinococcus multilocularis g protein coupled receptor Alpha-1a adrenergic receptor   466 aa 398 aa 21.4 %
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) Muscarinic acetylcholine receptor M2   466 aa 461 aa 26.0 %
Echinococcus multilocularis alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 21.1 %
Schistosoma mansoni growth hormone secretagogue receptor Muscarinic acetylcholine receptor M2   466 aa 462 aa 19.9 %
Echinococcus granulosus allatostatin A receptor Opioid receptor   372 aa 302 aa 27.8 %
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Opioid receptor   372 aa 331 aa 21.4 %
Loa Loa (eye worm) TYRA-2 protein Muscarinic acetylcholine receptor M2   466 aa 497 aa 24.7 %
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor Opioid receptor   372 aa 366 aa 22.7 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Muscarinic acetylcholine receptor M2   466 aa 505 aa 26.9 %
Schistosoma japonicum Octopamine receptor 1, putative Muscarinic acetylcholine receptor M2   466 aa 412 aa 22.6 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Opioid receptor   372 aa 320 aa 25.6 %
Brugia malayi GnHR receptor homolog Opioid receptor   372 aa 313 aa 18.5 %
Schistosoma japonicum Octopamine receptor, putative Muscarinic acetylcholine receptor M2   466 aa 462 aa 26.8 %
Onchocerca volvulus Opioid receptor   372 aa 344 aa 22.1 %
Echinococcus multilocularis allatostatin A receptor Opioid receptor   372 aa 302 aa 28.5 %
Echinococcus granulosus g protein coupled receptor Muscarinic acetylcholine receptor M2   466 aa 480 aa 18.5 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Echinococcus granulosus rhodopsin orphan GPCR Alpha-1a adrenergic receptor   466 aa 418 aa 20.3 %
Onchocerca volvulus Opioid receptor   372 aa 349 aa 22.1 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Brugia malayi ORL1-like opioid receptor Opioid receptor   372 aa 300 aa 24.7 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Muscarinic acetylcholine receptor M2   466 aa 510 aa 29.8 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Onchocerca volvulus Opioid receptor   372 aa 316 aa 26.9 %
Onchocerca volvulus Alpha-1b adrenergic receptor   515 aa 429 aa 20.3 %
Schistosoma japonicum FMRFamide receptor, putative Alpha-1a adrenergic receptor   466 aa 374 aa 19.5 %
Loa Loa (eye worm) neuropeptide F receptor Opioid receptor   372 aa 317 aa 23.3 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Opioid receptor   372 aa 315 aa 28.6 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Muscarinic acetylcholine receptor M2   466 aa 493 aa 34.7 %
Onchocerca volvulus Opioid receptor   372 aa 353 aa 21.0 %
Echinococcus granulosus alpha 1A adrenergic receptor Muscarinic acetylcholine receptor M2   466 aa 459 aa 20.0 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Alpha-1a adrenergic receptor   466 aa 443 aa 31.2 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Echinococcus granulosus biogenic amine 5HT receptor Alpha-1a adrenergic receptor   466 aa 418 aa 30.4 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Alpha-1a adrenergic receptor   466 aa 386 aa 31.6 %
Schistosoma mansoni biogenic amine receptor Muscarinic acetylcholine receptor M2   466 aa 463 aa 24.2 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Echinococcus granulosus tm gpcr rhodopsin Opioid receptor   372 aa 334 aa 22.5 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma mansoni peptide (allatostatin)-like receptor Opioid receptor   372 aa 353 aa 29.2 %
Onchocerca volvulus Muscarinic acetylcholine receptor M2   466 aa 472 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.011 0.022 0.0238
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.0662 0.243 0.2625
Leishmania major hypothetical protein, conserved 0.011 0.022 0.0456
Leishmania major calcium/potassium channel (CAKC), putative 0.011 0.022 0.0456
Schistosoma mansoni calcium-activated potassium channel 0.2139 0.8338 0.8998
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus multilocularis serotonin receptor 0.016 0.0421 0.0421
Toxoplasma gondii ion channel protein 0.011 0.022 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Schistosoma mansoni hypothetical protein 0.011 0.022 0.0148
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0305 0.1001 1
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Leishmania major C-8 sterol isomerase-like protein 0.0662 0.243 1
Loa Loa (eye worm) hypothetical protein 0.016 0.0421 0.0455
Schistosoma mansoni calcium-activated potassium channel 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus granulosus glutamate NMDA receptor subunit 0.0076 0.0084 0.0084
Echinococcus granulosus potassium channel subfamily K 8 0.011 0.022 0.022
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.022 0.5
Trypanosoma cruzi ion transport protein, putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus multilocularis conserved hypothetical protein 0.0833 0.3116 0.3116
Trypanosoma brucei calcium-activated potassium channel, putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.0538 0.1933 0.2088
Echinococcus granulosus TWiK family of potassium channels protein 7 0.011 0.022 0.022
Leishmania major ion transport protein-like protein 0.011 0.022 0.0456
Echinococcus granulosus biogenic amine 5HT receptor 0.016 0.0421 0.0421
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.022 0.5
Echinococcus multilocularis twik family of potassium channels 0.011 0.022 0.022
Plasmodium falciparum potassium channel 0.011 0.022 1
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.1012 0.3829 0.4136
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.022 0.5
Plasmodium vivax potassium channel, putative 0.011 0.022 1
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Trypanosoma cruzi calcium-activated potassium channel, putative 0.011 0.022 0.0456
Echinococcus granulosus potassium channel subfamily K 0.011 0.022 0.022
Echinococcus granulosus hypothetical protein 0.0871 0.3267 0.3267
Echinococcus granulosus calcium activated potassium channel variant 0.011 0.022 0.022
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.1114 0.4239 0.453
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Plasmodium vivax potassium channel, putative 0.011 0.022 1
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Brugia malayi Cache domain containing protein 0.0514 0.1839 0.7324
Schistosoma mansoni calcium-activated potassium channel 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.012 0.0262 0.0283
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Mycobacterium ulcerans transmembrane cation transporter 0.011 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus granulosus twik family of potassium channels 0.011 0.022 0.022
Plasmodium falciparum potassium channel 0.011 0.022 1
Schistosoma mansoni hypothetical protein 0.06 0.2182 0.2287
Trypanosoma brucei C-8 sterol isomerase, putative 0.0662 0.243 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0076 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0514 0.1839 0.1986
Loa Loa (eye worm) hypothetical protein 0.1127 0.4291 0.4635
Trypanosoma cruzi ion transport protein, putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.0538 0.1933 0.2088
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus granulosus voltage dependent calcium channel subunit 0.1162 0.4429 0.4429
Schistosoma mansoni calcium-activated potassium channel 0.2368 0.9258 1
Echinococcus multilocularis small conductance calcium activated potassium 0.2368 0.9258 0.9258
Echinococcus multilocularis potassium channel subfamily K 0.011 0.022 0.022
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0662 0.243 1
Echinococcus granulosus Two pore potassium channel protein sup 9 0.011 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Leishmania major potassium channel subunit-like protein 0.011 0.022 0.0456
Echinococcus multilocularis voltage dependent calcium channel subunit 0.1162 0.4429 0.4429
Leishmania major hypothetical protein, conserved 0.011 0.022 0.0456
Echinococcus multilocularis potassium channel subfamily K 8 0.011 0.022 0.022
Echinococcus granulosus small conductance calcium activated potassium 0.2368 0.9258 0.9258
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Schistosoma mansoni biogenic amine (5HT) receptor 0.016 0.0421 0.0367
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.2368 0.9258 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0562 0.2029 0.212
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.016 0.0421 0.0455
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.011 0.022 0.022
Brugia malayi Telomerase reverse transcriptase 0.0221 0.0668 0.2025
Schistosoma mansoni twik family of potassium channels-related 0.011 0.022 0.0148
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.0227 0.0691 0.0746
Toxoplasma gondii ion channel protein 0.011 0.022 1
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.011 0.022 0.0456
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Echinococcus granulosus potassium channel subfamily K 8 0.011 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.011 0.022 0.0238
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.011 0.022 0.5
Echinococcus multilocularis serotonin receptor 0.016 0.0421 0.0421
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.022 0.0456
Loa Loa (eye worm) TWK-7 protein 0.011 0.022 0.0238
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.011 0.022 0.5
Echinococcus granulosus twik family of potassium channels 0.011 0.022 0.022
Schistosoma mansoni hypothetical protein 0.2368 0.9258 1
Echinococcus multilocularis calcium activated potassium channel variant 0.011 0.022 0.022
Echinococcus multilocularis twik family of potassium channels 0.011 0.022 0.022
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.011 0.022 0.022
Giardia lamblia Hypothetical protein 0.011 0.022 1
Mycobacterium ulcerans ion transport protein 0.011 0.022 0.5
Loa Loa (eye worm) uncoordinated protein 58 0.011 0.022 0.0238
Schistosoma mansoni amine GPCR 0.057 0.2062 0.2156
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) TWK-28 protein 0.011 0.022 0.0238
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0662 0.243 1
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.011 0.022 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Loa Loa (eye worm) hypothetical protein 0.011 0.022 0.0238
Schistosoma mansoni serine-rich repeat protein 0.06 0.2182 0.2287
Brugia malayi Serotonin receptor 0.0593 0.2155 0.8754
Echinococcus multilocularis potassium channel subfamily K 8 0.011 0.022 0.022
Echinococcus multilocularis voltage dependent calcium channel subunit 0.2554 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 20 nM Compound was tested for its binding affinity towards sigma 1 receptor using [3H]-(+)-pentazocine from guinea pig brain ChEMBL. 9572880
Ki (binding) = 20 nM Compound was tested for its binding affinity towards sigma 1 receptor using [3H]-(+)-pentazocine from guinea pig brain ChEMBL. 9572880
Ki (binding) = 1800 nM Binding affinity towards sigma 2 receptor using [3H]-DTG in the presence of 200 nM (+)-NANM from guinea pig brain ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin from guinea pig frontal cortex ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Dopamine receptor D2 using [3H]-spiperone from rat striatum ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Alpha-1A adrenergic receptor using [3H]-prazosin from rat submaxillary gland ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Alpha-1B adrenergic receptor using [3H]-prazosin from rat liver ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-NMS from rat heart ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M3 using [3H]-NMS from rat submaxillary gland ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Opioid receptors using [3H]-naloxone from rat whole brain ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards PCP receptor using [3H]-(+)-NANM in the presence of 5 microM haloperidol from rat brain ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards 5-hydroxytryptamine 2 receptor using [3H]-ketanserin from guinea pig frontal cortex ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Dopamine receptor D2 using [3H]-spiperone from rat striatum ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Alpha-1A adrenergic receptor using [3H]-prazosin from rat submaxillary gland ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Alpha-1B adrenergic receptor using [3H]-prazosin from rat liver ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M2 using [3H]-NMS from rat heart ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Muscarinic acetylcholine receptor M3 using [3H]-NMS from rat submaxillary gland ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards Opioid receptors using [3H]-naloxone from rat whole brain ChEMBL. 9572880
Ki (binding) > 10000 nM Compound was tested for its binding affinity towards PCP receptor using [3H]-(+)-NANM in the presence of 5 microM haloperidol from rat brain ChEMBL. 9572880
Selectivity (binding) = 90 Selectivity for sigma 2 receptor and sigma 1 receptor from guinea pig brain was evaluated ChEMBL. 9572880
Selectivity (binding) = 90 Selectivity for sigma 2 receptor and sigma 1 receptor from guinea pig brain was evaluated ChEMBL. 9572880

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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