Detailed information for compound 68029

Basic information

Technical information
  • TDR Targets ID: 68029
  • Name: 3-[(3S)-1-methylpiperidin-3-yl]phenol
  • MW: 191.269 | Formula: C12H17NO
  • H donors: 1 H acceptors: 1 LogP: 2.15 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC[C@H](C1)c1cccc(c1)O
  • InChi: 1S/C12H17NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,4,6,8,11,14H,3,5,7,9H2,1H3/t11-/m1/s1
  • InChiKey: DKJJTEBJFLYIIS-LLVKDONJSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(3S)-1-methyl-3-piperidyl]phenol
  • 3-[(3S)-1-methyl-3-piperidinyl]phenol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor Starlite/ChEMBL References
Rattus norvegicus Sigma opioid receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans sterol C8-C7 isomerase 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania infantum 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
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 brucei gambiense C-8 sterol isomerase, putative Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania donovani C-8 sterol isomerase-like protein Get druggable targets OG5_131051 All targets in OG5_131051
Leishmania major 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
Trypanosoma cruzi C-8 sterol isomerase, putative 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
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax aspartyl proteinase, putative 0.1649 0.1618 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0078 0.0113
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0175 0.0096 0.0138
Toxoplasma gondii aspartyl protease 0.0941 0.0887 0.4664
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Brugia malayi Dopamine receptor protein 1 0.0175 0.0096 0.0138
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0175 0.0096 0.0138
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0561 0.0494 0.0711
Brugia malayi G protein-coupled receptor F59B2.13 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0941 0.0887 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.1649 0.1618 0.4892
Schistosoma mansoni alpha-glucosidase 0.0136 0.0055 0.0055
Brugia malayi putative neuropeptide receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0296 0.0221 0.0317
Onchocerca volvulus 0.0091 0.0009 0.0107
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0322 0.0248 0.0356
Echinococcus granulosus serotonin receptor 0.0175 0.0096 0.0138
Schistosoma mansoni opsin-like receptor 0.0175 0.0096 0.0096
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.6815 0.695 1
Echinococcus multilocularis neuropeptides capa receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0153 0.0073 0.0105
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide receptor 0.0175 0.0096 0.0096
Plasmodium falciparum plasmepsin IV 0.1649 0.1618 1
Schistosoma mansoni myosin xvIII 0.0175 0.0096 0.0096
Plasmodium falciparum plasmepsin VI 0.1649 0.1618 1
Echinococcus granulosus neuropeptide receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0296 0.0221 0.0317
Schistosoma mansoni serine/threonine protein kinase 0.0561 0.0494 0.0494
Loa Loa (eye worm) hypothetical protein 0.0223 0.0145 0.0209
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0175 0.0096 0.0096
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Schistosoma mansoni hypothetical protein 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0175 0.0096 0.1082
Mycobacterium tuberculosis Probable oxidoreductase 0.0567 0.05 0.6257
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0175 0.0096 0.0096
Brugia malayi AKH receptor 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Brugia malayi Pepsin A precursor 0.0941 0.0887 0.1276
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Schistosoma mansoni alpha-glucosidase 0.0136 0.0055 0.0055
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0153 0.0073 0.0105
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.3197 0.3216 1
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus multilocularis serotonin receptor 0.0296 0.0221 0.0317
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus multilocularis g protein coupled receptor 0.0175 0.0096 0.0138
Brugia malayi sulfakinin receptor protein 0.0175 0.0096 0.0138
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0322 0.0248 0.0512
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0175 0.0096 0.0138
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.6815 0.695 0.695
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.2806 0.2811 0.4045
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Echinococcus granulosus neuropeptides capa receptor 0.0175 0.0096 0.0138
Brugia malayi Dopamine receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Onchocerca volvulus Neuropeptide F receptor homolog 0.0175 0.0096 0.1082
Brugia malayi Eukaryotic aspartyl protease family protein 0.0941 0.0887 0.1276
Schistosoma mansoni biogenic amine receptor 0.0175 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0175 0.0096 0.0096
Brugia malayi Protein kinase domain containing protein 0.0561 0.0494 0.0711
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0175 0.0096 0.0138
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.6815 0.695 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0772 0.0712 0.5
Echinococcus multilocularis g protein coupled receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0175 0.0096 0.0096
Echinococcus granulosus neuropeptide receptor 0.0175 0.0096 0.0138
Brugia malayi CHE-14 protein 0.2806 0.2811 0.4045
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0175 0.0096 0.0138
Echinococcus granulosus g protein coupled receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Toxoplasma gondii aspartyl protease ASP3 0.0941 0.0887 0.4664
Echinococcus multilocularis G protein coupled receptor 139 0.0175 0.0096 0.0138
Leishmania major C-8 sterol isomerase-like protein 0.1028 0.0977 0.1088
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0175 0.0096 0.0096
Brugia malayi follicle stimulating hormone receptor 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine receptor 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus dro:myosuppressin receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus tm gpcr rhodopsin 0.08 0.0741 0.1066
Onchocerca volvulus 0.0153 0.0073 0.082
Brugia malayi hypothetical protein 0.0941 0.0887 0.1276
Schistosoma mansoni neuropeptide receptor 0.0175 0.0096 0.0096
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide f receptor 76f 0.0175 0.0096 0.0096
Echinococcus granulosus tm gpcr rhodopsin 0.0175 0.0096 0.0138
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis sterol regulatory element binding protein 0.2806 0.2811 0.4045
Brugia malayi Serotonin receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Plasmodium falciparum plasmepsin I 0.1649 0.1618 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Brugia malayi neuropeptide F receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis fmrfamide receptor 0.0175 0.0096 0.0138
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0175 0.0096 0.0138
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0223 0.0145 0.0209
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0175 0.0096 0.0096
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0153 0.0073 0.0073
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0175 0.0096 0.0138
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.6815 0.695 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Echinococcus granulosus hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Schistosoma mansoni patched 1 0.2806 0.2811 0.2811
Plasmodium falciparum plasmepsin II 0.1649 0.1618 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0175 0.0096 0.0138
Onchocerca volvulus Putative nachr subunit 0.0223 0.0145 0.1639
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus sterol regulatory element binding protein 0.2806 0.2811 0.4045
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis g protein coupled receptor 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine receptor 0.0175 0.0096 0.0096
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Brugia malayi G protein-coupled receptor 0.0175 0.0096 0.0138
Echinococcus granulosus G protein coupled receptor 139 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0322 0.0248 0.0356
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine (5HT) receptor 0.0296 0.0221 0.0221
Brugia malayi GnHR receptor homolog 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis neuropeptide receptor A26 0.0175 0.0096 0.0138
Echinococcus multilocularis neuropeptides capa receptor 0.0175 0.0096 0.0138
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0175 0.0096 0.0096
Echinococcus multilocularis protein dispatched 1 0.2806 0.2811 0.4045
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Schistosoma mansoni cathepsin D (A01 family) 0.3457 0.3484 0.3484
Echinococcus multilocularis protein patched 0.2806 0.2811 0.4045
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0772 0.0712 1
Echinococcus multilocularis neuropeptide Y receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0175 0.0096 0.0138
Echinococcus granulosus g protein coupled receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis allatostatin A receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.3197 0.3216 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0175 0.0096 0.0138
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0941 0.0887 0.4664
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) neuropeptide F receptor 0.0175 0.0096 0.0138
Schistosoma mansoni alpha-1 adrenergic receptor 0.0175 0.0096 0.0096
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.6815 0.695 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.08 0.0741 0.1066
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus multilocularis neuropeptide receptor 0.0175 0.0096 0.0138
Brugia malayi Dopamine receptor protein 2 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus granulosus biogenic amine 5HT receptor 0.0296 0.0221 0.0317
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.6815 0.695 1
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0153 0.0073 0.082
Onchocerca volvulus 0.0175 0.0096 0.1082
Onchocerca volvulus 0.0175 0.0096 0.1082
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0223 0.0145 0.0209
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.1649 0.1618 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.1649 0.1618 0.2328
Schistosoma mansoni opsin-like receptor 0.0175 0.0096 0.0096
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0175 0.0096 0.0138
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0561 0.0494 0.0711
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0175 0.0096 0.0096
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0561 0.0494 0.0711
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0561 0.0494 0.0711
Loa Loa (eye worm) hypothetical protein 0.0941 0.0887 0.1276
Brugia malayi G-protein coupled receptor 0.0175 0.0096 0.0138
Brugia malayi Serotonin receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.2806 0.2811 0.4045
Echinococcus granulosus neuropeptide Y receptor 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine (5HT) receptor 0.0175 0.0096 0.0096
Echinococcus granulosus tachykinin peptides receptor 99D 0.0175 0.0096 0.0138
Echinococcus multilocularis neuropeptide Y receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0175 0.0096 0.0138
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.6815 0.695 1
Schistosoma mansoni amine GPCR 0.0175 0.0096 0.0096
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0322 0.0248 0.0512
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0175 0.0096 0.0138
Echinococcus multilocularis somatostatin receptor 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0175 0.0096 0.0138
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0078 0.0113
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0078 0.0113
Schistosoma mansoni amine GPCR 0.0175 0.0096 0.0096
Brugia malayi hypothetical protein 0.0941 0.0887 0.1276
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1028 0.0977 0.1405
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0772 0.0712 0.0693
Echinococcus multilocularis serotonin receptor 0.0296 0.0221 0.0317
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0175 0.0096 0.0096
Brugia malayi G-protein coupled receptor 0.0175 0.0096 0.0138
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.1028 0.0977 0.1405
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.6815 0.695 1
Mycobacterium ulcerans short chain dehydrogenase 0.0567 0.05 0.0377
Brugia malayi Tachykinin-like peptides receptor 99D 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Loa Loa (eye worm) hypothetical protein 0.0941 0.0887 0.1276
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0223 0.0145 0.0209
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0223 0.0145 0.0209
Echinococcus granulosus alpha 1A adrenergic receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) G-protein coupled receptor 0.0175 0.0096 0.0138
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0175 0.0096 0.0096
Loa Loa (eye worm) TYRA-2 protein 0.0175 0.0096 0.0138
Treponema pallidum fructose-bisphosphate aldolase 0.0167 0.0087 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.0343 0.0493
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis G-protein coupled receptor, putative 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0115 0.0034 0.0048
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0941 0.0887 0.1276
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1028 0.0977 0.1088
Echinococcus granulosus Niemann Pick C1 protein 0.2806 0.2811 0.4045
Brugia malayi Cation transporter family protein 0.0153 0.0073 0.0105
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0561 0.0494 0.5576
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0175 0.0096 0.0138
Echinococcus granulosus orexin receptor type 2 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0153 0.0073 0.082
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0153 0.0073 0.0073
Schistosoma mansoni hypothetical protein 0.0175 0.0096 0.0096
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.6815 0.695 1
Echinococcus multilocularis neuropeptide s receptor 0.0175 0.0096 0.0138
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0322 0.0248 0.0512
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0223 0.0145 0.0209
Loa Loa (eye worm) G-protein coupled receptor 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis Niemann Pick C1 protein 0.2806 0.2811 0.4045
Loa Loa (eye worm) neuropeptide F receptor 0.0175 0.0096 0.0138
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.3197 0.3216 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0175 0.0096 0.0138
Echinococcus granulosus neuropeptide Y receptor 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0941 0.0887 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.1649 0.1618 0.2328
Echinococcus granulosus allatostatin A receptor 0.0175 0.0096 0.0138
Echinococcus granulosus somatostatin receptor 0.0175 0.0096 0.0138
Schistosoma mansoni opsin-like receptor 0.0175 0.0096 0.0096
Trichomonas vaginalis conserved hypothetical protein 0.2806 0.2811 0.8708
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0175 0.0096 0.0138
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0175 0.0096 0.0096
Echinococcus multilocularis orexin receptor type 2 0.0175 0.0096 0.0138
Schistosoma mansoni amine GPCR 0.0175 0.0096 0.0096
Brugia malayi ORL1-like opioid receptor 0.0175 0.0096 0.0138
Echinococcus granulosus peptide allatostatin:somatostatin 0.0175 0.0096 0.0138
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0175 0.0096 0.0138
Schistosoma mansoni growth hormone secretagogue receptor 0.0175 0.0096 0.0096
Echinococcus granulosus fmrfamide receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni hypothetical protein 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0322 0.0248 1
Echinococcus granulosus neuropeptides capa receptor 0.0175 0.0096 0.0138
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Schistosoma mansoni amine GPCR 0.0175 0.0096 0.0096
Brugia malayi larval opioid receptor 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide F-like receptor 0.0175 0.0096 0.0096
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0223 0.0145 0.0209
Echinococcus granulosus 7TM GPCR rhodopsin 0.0175 0.0096 0.0138
Schistosoma mansoni histamine h1 receptor 0.0175 0.0096 0.0096
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide receptor 0.0175 0.0096 0.0096
Trypanosoma brucei C-8 sterol isomerase, putative 0.1028 0.0977 0.1088
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus g-protein coupled receptor 0.0175 0.0096 0.0138
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.1649 0.1618 0.2328
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0078 0.0113
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0175 0.0096 0.0096
Onchocerca volvulus 0.0175 0.0096 0.1082
Loa Loa (eye worm) aspartic protease BmAsp-2 0.1649 0.1618 0.2328
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0175 0.0096 0.0138
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0175 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide F-like receptor 0.0175 0.0096 0.0096
Schistosoma mansoni adenoreceptor 0.0175 0.0096 0.0096
Brugia malayi hypothetical protein 0.0175 0.0096 0.0138
Brugia malayi RE15519p 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Echinococcus granulosus 7tm_1 domain containing protein 0.0175 0.0096 0.0138
Echinococcus multilocularis fmrfamide receptor 0.0175 0.0096 0.0138
Toxoplasma gondii aspartyl protease ASP1 0.1649 0.1618 1
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Echinococcus granulosus Protein patched homolog 1 0.2806 0.2811 0.4045
Echinococcus granulosus neuropeptide s receptor 0.0175 0.0096 0.0138
Echinococcus granulosus neuropeptide receptor A26 0.0175 0.0096 0.0138
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0223 0.0145 0.0209
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0175 0.0096 0.0096
Echinococcus granulosus tm gpcr rhodopsin 0.0175 0.0096 0.0138
Echinococcus granulosus rhodopsin orphan GPCR 0.0175 0.0096 0.0138
Echinococcus multilocularis neuropeptide FF receptor 2 0.0175 0.0096 0.0138
Brugia malayi aspartic protease BmAsp-2, identical 0.0941 0.0887 0.1276
Echinococcus multilocularis neuropeptide receptor 0.0175 0.0096 0.0138
Echinococcus granulosus g protein coupled receptor 0.0175 0.0096 0.0138
Schistosoma mansoni neuropeptide receptor 0.0175 0.0096 0.0096
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0561 0.0494 0.0711
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.1649 0.1618 0.1618
Brugia malayi putative neuropeptide receptor NPR1 0.0175 0.0096 0.0138
Onchocerca volvulus 0.0175 0.0096 0.1082
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.3197 0.3216 1
Brugia malayi Melatonin receptor type 1A 0.0175 0.0096 0.0138
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0078 0.0113
Loa Loa (eye worm) aspartyl protease 6 0.0941 0.0887 0.1276
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0223 0.0145 0.0209
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0941 0.0887 0.0887
Echinococcus granulosus neuropeptide FF receptor 2 0.0175 0.0096 0.0138
Schistosoma mansoni amine GPCR 0.0175 0.0096 0.0096
Echinococcus multilocularis sex peptide receptor 0.0175 0.0096 0.0138
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0175 0.0096 0.0138
Echinococcus multilocularis g-protein coupled receptor 0.0175 0.0096 0.0138
Plasmodium vivax plasmepsin IV, putative 0.1649 0.1618 1
Schistosoma mansoni cathepsin D (A01 family) 0.3457 0.3484 0.3484
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.6815 0.695 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.2806 0.2811 0.2811
Echinococcus multilocularis dro:myosuppressin receptor 0.0175 0.0096 0.0138
Echinococcus granulosus sex peptide receptor 0.0175 0.0096 0.0138
Echinococcus granulosus biogenic amine 5HT receptor 0.0175 0.0096 0.0138
Brugia malayi neuropeptide F receptor 0.0175 0.0096 0.0138
Brugia malayi aspartic protease BmAsp-1, identical 0.0941 0.0887 0.1276
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138
Loa Loa (eye worm) hypothetical protein 0.0175 0.0096 0.0138

Activities

Activity type Activity value Assay description Source Reference
DOPA accumulation (functional) = 20 The in vivo effect of the compound(sc injection, 107 umol/kg) on DOPA accumulation in limbic and striatal regions of reserpine-pretreated rat brains. ChEMBL. 7636874
DOPA accumulation (functional) = 51 The in vivo effect of the compound(sc,227microM/kg) on DOPA accumulation in limbic and striatal regions of the rat brain without reserpine pretreatment. ChEMBL. 7636874
IC50 (binding) = -0.29 Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]-spiperone ChEMBL. 2824774
IC50 (binding) = -0.28 Binding affinity against sigma receptor ChEMBL. 2824774
Log IC50 (binding) = -0.29 uM Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]-spiperone ChEMBL. 2824774
Log IC50 (binding) = -0.28 uM Binding affinity against sigma receptor ChEMBL. 2824774
Log IC50 (binding) = 0.28 uM Displacement of (+)-3PPP from sigma receptor of rat brain membrane ChEMBL. 8201608
Log IC50 (binding) = 0.28 uM Displacement of (+)-3PPP from sigma receptor of rat brain membrane ChEMBL. 8201608
Log IC50 (binding) = 0.29 uM Displacement of spiperone from dopamine receptor D2 of rat brain membrane ChEMBL. 8201608
Log IC50 (binding) = 0.29 uM Displacement of spiperone from dopamine receptor D2 of rat brain membrane ChEMBL. 8201608
Log kw = 0.94 Apparent lipophilicity (log kw) at pH 7.5 ChEMBL. 2824774
pED50 (functional) = -0.83 uM kg-1 In vivo presynaptic dopaminergic potency, determined by the ability to reduce the accumulation of DOPA by 50% ChEMBL. 2824774
Selectivity (binding) = 0.01 Selectivity of the compound pIC50 (sigma)-pIC50(D2) ChEMBL. 2824774

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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