Detailed information for compound 1258035

Basic information

Technical information
  • TDR Targets ID: 1258035
  • Name: 3-[(3S)-1-propylpiperidin-3-yl]phenol hydroch loride
  • MW: 255.784 | Formula: C14H22ClNO
  • H donors: 1 H acceptors: 1 LogP: 3.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1CCC[C@H](C1)c1cccc(c1)O.Cl
  • InChi: 1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m1./s1
  • InChiKey: NRHUDETYKUBQJT-BTQNPOSSSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(3S)-1-propyl-3-piperidyl]phenol hydrochloride
  • 3-[(3S)-1-propyl-3-piperidinyl]phenol hydrochloride
  • P103_SIGMA
  • S-(−)-3-PPP
  • Preclamol
  • (S)-(−)-3-(3-Hydroxyphenyl)-N-propylpiperidine hydrochloride
  • EU-0100996

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens dopamine receptor D3 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein dopamine receptor D3 400 aa 392 aa 19.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus tm gpcr rhodopsin 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0118922 0.0444935 0.252389
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi Tachykinin-like peptides receptor 99D 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Mycobacterium tuberculosis Probable hydrolase 0.0047868 0.00324195 0.00324195
Onchocerca volvulus 0.0118922 0.0444935 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0118922 0.0444935 0.0734209
Brugia malayi Dopamine receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus g protein coupled receptor 0.0118922 0.0444935 0.0734209
Onchocerca volvulus 0.0118922 0.0444935 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0107872 0.0380785 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 1
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus Solute carrier family 22 5 0.101562 0.565093 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 1
Echinococcus granulosus tm gpcr rhodopsin 0.0118922 0.0444935 0.0734209
Echinococcus granulosus neuropeptide Y receptor 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0107872 0.0380785 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0107872 0.0380785 0.0620032
Onchocerca volvulus 0.0118922 0.0444935 1
Echinococcus granulosus G protein coupled receptor 139 0.0118922 0.0444935 0.0734209
Schistosoma mansoni hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis g protein coupled receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi ORL1-like opioid receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus g protein coupled receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis somatostatin receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) G-protein coupled receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis serotonin receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine receptor 0.0118922 0.0444935 0.252389
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Onchocerca volvulus 0.0118922 0.0444935 1
Loa Loa (eye worm) neuropeptide F receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Mycobacterium ulcerans epoxide hydrolase EphA 0.176473 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0118922 0.0444935 0.0734209
Brugia malayi Dopamine receptor protein 1 0.0118922 0.0444935 0.252389
Brugia malayi G-protein coupled receptor 0.0118922 0.0444935 0.252389
Onchocerca volvulus Neuropeptide F receptor homolog 0.0118922 0.0444935 1
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0107872 0.0380785 1
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0047868 0.00324195 0.5
Schistosoma mansoni hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus somatostatin receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni biogenic amine receptor 0.0118922 0.0444935 0.252389
Mycobacterium tuberculosis Conserved hypothetical protein 0.0047868 0.00324195 0.00324195
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Onchocerca volvulus 0.0118922 0.0444935 1
Echinococcus granulosus neuropeptide receptor 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0329392 0.166686 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine receptor 0.0118922 0.0444935 0.252389
Brugia malayi G protein-coupled receptor 0.0118922 0.0444935 0.252389
Brugia malayi putative neuropeptide receptor NPR1 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis g-protein coupled receptor 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis serotonin receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0118922 0.0444935 0.252389
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi neuropeptide F receptor 0.0118922 0.0444935 0.252389
Mycobacterium tuberculosis Possible phosphatase 0.0047868 0.00324195 0.00324195
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus tm gpcr rhodopsin 0.0118922 0.0444935 0.0734209
Echinococcus granulosus neuropeptide FF receptor 2 0.0118922 0.0444935 0.0734209
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Brugia malayi follicle stimulating hormone receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis fmrfamide receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus neuropeptide Y receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus neuropeptide s receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni neuropeptide receptor 0.0118922 0.0444935 0.252389
Brugia malayi Serotonin receptor 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni opsin-like receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus fmrfamide receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni adenoreceptor 0.0118922 0.0444935 0.252389
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0118922 0.0444935 0.252389
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni amine GPCR 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni amine GPCR 0.0118922 0.0444935 0.252389
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0118922 0.0444935 0.0734209
Echinococcus granulosus orexin receptor type 2 0.0118922 0.0444935 0.0734209
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0118922 0.0444935 0.252389
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0107872 0.0380785 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0118922 0.0444935 0.252389
Wolbachia endosymbiont of Brugia malayi phosphatase 0.0047868 0.00324195 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptide s receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus serotonin receptor 0.0118922 0.0444935 0.0734209
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0047868 0.00324195 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) G-protein coupled receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0118922 0.0444935 0.252389
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0329392 0.166686 1
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 1
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0107872 0.0380785 0.21314
Echinococcus granulosus alpha 1A adrenergic receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus tachykinin peptides receptor 99D 0.0118922 0.0444935 0.0734209
Schistosoma mansoni neuropeptide f receptor 76f 0.0118922 0.0444935 0.252389
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.176473 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis dro:myosuppressin receptor 0.0118922 0.0444935 0.252389
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0118922 0.0444935 0.252389
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptide receptor A26 0.0118922 0.0444935 0.252389
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine (5HT) receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus neuropeptides capa receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus biogenic amine 5HT receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Brugia malayi GnHR receptor homolog 0.0118922 0.0444935 0.252389
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 0.0349498
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0118922 0.0444935 0.252389
Schistosoma mansoni amine GPCR 0.0118922 0.0444935 0.252389
Echinococcus multilocularis G protein coupled receptor 139 0.0118922 0.0444935 0.252389
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni neuropeptide receptor 0.0118922 0.0444935 0.252389
Mycobacterium leprae Probable hydrolase 0.0047868 0.00324195 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Schistosoma mansoni hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi Melatonin receptor type 1A 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis g protein coupled receptor 0.0118922 0.0444935 0.252389
Brugia malayi G-protein coupled receptor 0.0118922 0.0444935 0.252389
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0107872 0.0380785 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis orexin receptor type 2 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0329392 0.166686 1
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine (5HT) receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni amine GPCR 0.0118922 0.0444935 0.252389
Brugia malayi larval opioid receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus neuropeptides capa receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus biogenic amine 5HT receptor 0.0118922 0.0444935 0.0734209
Echinococcus granulosus allatostatin A receptor 0.0118922 0.0444935 0.0734209
Entamoeba histolytica haloacid dehalogenase-like hydrolase domain-containing protein 0.0047868 0.00324195 0.5
Entamoeba histolytica hypothetical protein 0.0047868 0.00324195 0.5
Brugia malayi putative neuropeptide receptor 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni alpha-1 adrenergic receptor 0.0118922 0.0444935 0.252389
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni histamine h1 receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni neuropeptide receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni neuropeptide F-like receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis G-protein coupled receptor, putative 0.0118922 0.0444935 0.252389
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0118922 0.0444935 0.252389
Echinococcus granulosus g-protein coupled receptor 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis allatostatin A receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus peptide allatostatin:somatostatin 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Onchocerca volvulus 0.0118922 0.0444935 1
Onchocerca volvulus 0.0118922 0.0444935 1
Echinococcus multilocularis neuropeptide receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptide FF receptor 2 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 0.21314
Echinococcus multilocularis neuropeptide receptor 0.0118922 0.0444935 0.252389
Brugia malayi glucose-6-phosphate dehydrogenase 0.0107872 0.0380785 0.21314
Schistosoma mansoni myosin xvIII 0.0118922 0.0444935 0.252389
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Echinococcus granulosus hypothetical protein 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0118922 0.0444935 0.252389
Brugia malayi sulfakinin receptor protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis fmrfamide receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus dro:myosuppressin receptor 0.0118922 0.0444935 0.0734209
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Entamoeba histolytica hypothetical protein 0.0047868 0.00324195 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0118922 0.0444935 0.252389
Echinococcus multilocularis sex peptide receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Echinococcus granulosus sex peptide receptor 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni neuropeptide F-like receptor 0.0118922 0.0444935 0.252389
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0107872 0.0380785 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0118922 0.0444935 0.0734209
Echinococcus multilocularis neuropeptides capa receptor 0.0118922 0.0444935 0.252389
Schistosoma mansoni neuropeptide receptor 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 1
Brugia malayi AKH receptor 0.0118922 0.0444935 0.252389
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) melatonin receptor type 1A 0.0118922 0.0444935 0.252389
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Echinococcus granulosus 7TM GPCR rhodopsin 0.0118922 0.0444935 0.0734209
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0118922 0.0444935 0.252389
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0118922 0.0444935 0.252389
Brugia malayi hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi Serotonin receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptide Y receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni growth hormone secretagogue receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptides capa receptor 0.0118922 0.0444935 0.252389
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0107872 0.0380785 1
Schistosoma mansoni opsin-like receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0107872 0.0380785 0.21314
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus multilocularis neuropeptide Y receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0118922 0.0444935 0.252389
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.00655881 0.0135297 0.0103212
Brugia malayi Dopamine receptor protein 2 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Brugia malayi neuropeptide F receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Schistosoma mansoni opsin-like receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0118922 0.0444935 0.252389
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0118922 0.0444935 1
Entamoeba histolytica HAD hydrolase, family IA, variant 3 0.0047868 0.00324195 0.5
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Echinococcus granulosus g protein coupled receptor 0.0118922 0.0444935 0.0734209
Schistosoma mansoni amine GPCR 0.0118922 0.0444935 0.252389
Brugia malayi RE15519p 0.0118922 0.0444935 0.252389
Echinococcus granulosus neuropeptide receptor 0.0118922 0.0444935 0.0734209
Mycobacterium tuberculosis Protein tyrosine kinase transcriptional regulatory protein PtkA 0.0047868 0.00324195 0.00324195
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0329392 0.166686 0.290904
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0329392 0.166686 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0118922 0.0444935 0.0734209
Loa Loa (eye worm) neuropeptide F receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis g protein coupled receptor 0.0118922 0.0444935 0.252389
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0118922 0.0444935 0.252389
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) hypothetical protein 0.0118922 0.0444935 0.252389
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0107872 0.0380785 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0118922 0.0444935 0.252389
Loa Loa (eye worm) TYRA-2 protein 0.0118922 0.0444935 0.252389

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 76.036 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) 92.413 uM PubChem BioAssay. Counterscreen for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay to identify agonists of the mu 1 opioid receptor (OPRM1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay ChEMBL. 19734910
IC50 (functional) = -4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay ChEMBL. 19734910
Potency (functional) 0.1122 uM PubChem BioAssay. qHTS of D3 Dopamine Receptor Agonist: D3 Dopamine Receptor B-arrestin Agonist Confirmatory Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 19734910

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

No literature references available for this target.

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