Detailed information for compound 1281908

Basic information

Technical information
  • TDR Targets ID: 1281908
  • Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(furan- 2-ylmethylamino)propan-1-one hydrochloride
  • MW: 320.814 | Formula: C17H21ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 2.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)N1CCc2c(C1)cccc2)NCc1ccco1.Cl
  • InChi: 1S/C17H20N2O2.ClH/c1-13(18-11-16-7-4-10-21-16)17(20)19-9-8-14-5-2-3-6-15(14)12-19;/h2-7,10,13,18H,8-9,11-12H2,1H3;1H
  • InChiKey: HXEJUTCSQWEEIF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furylmethylamino)propan-1-one hydrochloride
  • 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-furfurylamino)propan-1-one hydrochloride
  • 1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[(furan-2-ylmethyl)-amino]-propan-1-one
  • MLS000027842
  • SMR000008425

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0074 0.0605 0.075
Onchocerca volvulus 0.0038 0.0087 0.0119
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0087 0.0067
Echinococcus granulosus 7TM GPCR rhodopsin 0.0038 0.0087 0.0067
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus neuropeptide s receptor 0.0038 0.0087 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0056 0.0046
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Loa Loa (eye worm) serotonin transporter b 0.0146 0.1657 0.162
Plasmodium falciparum plasmepsin VI 0.0074 0.0605 1
Onchocerca volvulus 0.0286 0.3681 1
Plasmodium falciparum plasmepsin I 0.0074 0.0605 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0055 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0552 0.753 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0087 0.0058
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0056 0.0026
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis serotonin receptor 0.0159 0.184 0.2398
Schistosoma mansoni inositol monophosphatase 0.0036 0.0055 0.004
Echinococcus granulosus dro:myosuppressin receptor 0.0038 0.0087 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0056 0.0046
Brugia malayi AKH receptor 0.0038 0.0087 0.0043
Schistosoma mansoni hypothetical protein 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0369 0.4883 0.486
Echinococcus granulosus neuropeptide FF receptor 2 0.0038 0.0087 0.0067
Echinococcus multilocularis geminin 0.0164 0.1907 0.2488
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0159 0.184 0.1803
Schistosoma mansoni cathepsin D (A01 family) 0.0074 0.0605 0.2133
Echinococcus granulosus hypothetical protein 0.0038 0.0087 0.0067
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0087 0.0058
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0056 0.0016
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1217 0.1179
Echinococcus granulosus g-protein coupled receptor 0.0038 0.0087 0.0067
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis tumor protein p63 0.0408 0.5449 0.722
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis serotonin transporter 0.0146 0.1657 0.2155
Mycobacterium tuberculosis Conserved protein 0.0035 0.0048 0.017
Brugia malayi Serotonin receptor 0.0038 0.0087 0.0043
Brugia malayi Dopamine receptor 0.0038 0.0087 0.0043
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0048 0.0014
Schistosoma mansoni hypothetical protein 0.0164 0.1907 0.7079
Echinococcus granulosus g protein coupled receptor 0.0038 0.0087 0.0067
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0087 0.0067
Echinococcus multilocularis G-protein coupled receptor, putative 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0038 0.0087 0.0119
Schistosoma mansoni opsin-like receptor 0.0038 0.0087 0.0164
Plasmodium vivax SET domain protein, putative 0.0036 0.0056 0.0218
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis vesicular acetylcholine transporter 0.0217 0.2676 0.3515
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0087 0.0058
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0038 0.0087 0.0164
Brugia malayi G protein-coupled receptor 0.0038 0.0087 0.0043
Echinococcus granulosus sex peptide receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0087 0.0058
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0151 0.0153
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0151 0.0408
Loa Loa (eye worm) inositol-1 0.0036 0.0055 0.0011
Onchocerca volvulus 0.0035 0.0048 0.001
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0048 0.017
Schistosoma mansoni neuropeptide receptor 0.0038 0.0087 0.0164
Schistosoma mansoni biogenic amine (5HT) receptor 0.0038 0.0087 0.0164
Schistosoma mansoni sodium/chloride dependent transporter 0.0146 0.1657 0.613
Brugia malayi putative neuropeptide receptor 0.0038 0.0087 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Schistosoma mansoni opsin-like receptor 0.0038 0.0087 0.0164
Schistosoma mansoni alpha-1 adrenergic receptor 0.0038 0.0087 0.0164
Brugia malayi GnHR receptor homolog 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Schistosoma mansoni growth hormone secretagogue receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0035 0.0048 0.001
Brugia malayi G-protein coupled receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0038 0.0087 0.0058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0055 0.0023
Echinococcus granulosus 7tm_1 domain containing protein 0.0038 0.0087 0.0067
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0056 0.0016
Brugia malayi Dopamine receptor protein 1 0.0038 0.0087 0.0043
Schistosoma mansoni biogenic amine receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi Melatonin receptor type 1A 0.0038 0.0087 0.0043
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) melatonin receptor type 1A 0.0038 0.0087 0.0043
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0151 0.0143
Schistosoma mansoni neuropeptide receptor 0.0038 0.0087 0.0164
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0722 1 1
Onchocerca volvulus 0.0038 0.0087 0.0119
Brugia malayi beta-lactamase family protein 0.0035 0.0048 0.0004
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0146 0.1657 0.162
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0056 0.0218
Schistosoma mansoni adenoreceptor 0.0038 0.0087 0.0164
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0244 0.0267
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi RE15519p 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) TYRA-2 protein 0.0038 0.0087 0.0043
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0038 0.0087 0.0058
Echinococcus granulosus biogenic amine 5HT receptor 0.0159 0.184 0.2406
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Schistosoma mansoni opsin-like receptor 0.0038 0.0087 0.0164
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0055 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0074 0.0605 0.2133
Onchocerca volvulus 0.0038 0.0087 0.0119
Toxoplasma gondii aspartyl protease ASP1 0.0074 0.0605 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Brugia malayi G-protein coupled receptor 0.0038 0.0087 0.0043
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0048 0.0004
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0048 0.0068
Echinococcus granulosus serotonin receptor 0.0038 0.0087 0.0067
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3681 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0038 0.0087 0.0119
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0055 0.0014
Echinococcus multilocularis neuropeptide receptor A26 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus peptide allatostatin:somatostatin 0.0038 0.0087 0.0067
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0048 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus fmrfamide receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0038 0.0087 0.0058
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0087 0.0164
Brugia malayi sulfakinin receptor protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi neuropeptide F receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0087 0.0058
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0087 0.0067
Schistosoma mansoni amine GPCR 0.0038 0.0087 0.0164
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Giardia lamblia PHD finger protein 15 0.0035 0.0044 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0146 0.1657 0.613
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0087 0.0058
Plasmodium vivax plasmepsin IV, putative 0.0074 0.0605 1
Echinococcus granulosus g protein coupled receptor 0.0038 0.0087 0.0067
Brugia malayi MH2 domain containing protein 0.0116 0.1217 0.1179
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0074 0.0605 0.0564
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0087 0.0067
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Leishmania major C-8 sterol isomerase-like protein 0.0722 1 1
Schistosoma mansoni amine GPCR 0.0038 0.0087 0.0164
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Schistosoma mansoni hypothetical protein 0.0038 0.0087 0.0164
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.3177 0.3147
Loa Loa (eye worm) hypothetical protein 0.0146 0.1657 0.162
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi Dopamine receptor protein 2 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.006 0.0409 0.0366
Onchocerca volvulus 0.0038 0.0087 0.0119
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0038 0.0087 0.0164
Onchocerca volvulus 0.0038 0.0087 0.0119
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0038 0.0087 0.0058
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0087 0.0058
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0074 0.0605 0.0564
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2819 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0038 0.0087 0.0164
Echinococcus granulosus tumor protein p63 0.0408 0.5449 0.7223
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0038 0.0087 0.0058
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0038 0.0087 0.0043
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0048 0.017
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0048 0.017
Onchocerca volvulus 0.0038 0.0087 0.0119
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0087 0.0067
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0146 0.1657 0.162
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0038 0.0087 0.0043
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0217 0.2676 0.7236
Onchocerca volvulus 0.0038 0.0087 0.0119
Onchocerca volvulus 0.0038 0.0087 0.0119
Brugia malayi Inositol-1 0.0036 0.0055 0.0011
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0038 0.0087 0.0058
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0038 0.0087 0.0058
Echinococcus multilocularis sex peptide receptor 0.0038 0.0087 0.0058
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0038 0.0087 0.0058
Onchocerca volvulus 0.0038 0.0087 0.0119
Plasmodium vivax aspartyl proteinase, putative 0.0074 0.0605 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni amine GPCR 0.0038 0.0087 0.0164
Plasmodium falciparum plasmepsin II 0.0074 0.0605 1
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi Tachykinin-like peptides receptor 99D 0.0038 0.0087 0.0043
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0862 0.3107
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0055 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.0007
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0151 0.0408
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Schistosoma mansoni neuropeptide receptor 0.0038 0.0087 0.0164
Onchocerca volvulus 0.0038 0.0087 0.0119
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0038 0.0087 0.0067
Toxoplasma gondii ABC1 family protein 0.0035 0.0048 0.0068
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0038 0.0087 0.0164
Brugia malayi beta-lactamase family protein 0.0035 0.0048 0.0004
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0048 0.0014
Mycobacterium tuberculosis Conserved protein 0.0035 0.0048 0.017
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0087 0.0058
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0038 0.0087 0.0067
Echinococcus granulosus vesicular acetylcholine transporter 0.0217 0.2676 0.3521
Schistosoma mansoni vesicular acetylcholine transporter 0.0217 0.2676 1
Schistosoma mansoni amine GPCR 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis somatostatin receptor 0.0038 0.0087 0.0058
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Echinococcus granulosus serotonin transporter 0.0146 0.1657 0.2162
Brugia malayi ORL1-like opioid receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Mycobacterium tuberculosis Conserved protein 0.0035 0.0048 0.017
Onchocerca volvulus 0.0038 0.0087 0.0119
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0055 0.0187
Treponema pallidum sodium- and chloride- dependent transporter 0.0146 0.1657 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0038 0.0087 0.0058
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0038 0.0087 0.0043
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0048 0.017
Echinococcus granulosus tachykinin peptides receptor 99D 0.0038 0.0087 0.0067
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0074 0.0605 1
Echinococcus granulosus geminin 0.0164 0.1907 0.2495
Schistosoma mansoni hypothetical protein 0.0038 0.0087 0.0164
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0048 0.017
Schistosoma mansoni neuropeptide f receptor 76f 0.0038 0.0087 0.0164
Onchocerca volvulus 0.0038 0.0087 0.0119
Echinococcus multilocularis orexin receptor type 2 0.0038 0.0087 0.0058
Onchocerca volvulus 0.0146 0.1657 0.4436
Brugia malayi Pre-SET motif family protein 0.0251 0.3177 0.3147
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0055 0.0018
Schistosoma mansoni cathepsin D (A01 family) 0.0074 0.0605 0.2133
Echinococcus granulosus neuropeptide receptor A26 0.0038 0.0087 0.0067
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0087 0.0058
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0087 0.0043
Echinococcus granulosus peregrin 0.0035 0.0044 0.0009
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0151 0.0108
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0087 0.0058
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0038 0.0087 0.0164
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0217 0.2676 0.2643
Loa Loa (eye worm) beta-lactamase 0.0035 0.0048 0.0004
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni histamine h1 receptor 0.0038 0.0087 0.0164
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0048 0.017
Loa Loa (eye worm) hypothetical protein 0.0036 0.0056 0.0012
Loa Loa (eye worm) hypothetical protein 0.0146 0.1657 0.162
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0588 0.0546
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.0007
Echinococcus granulosus g protein coupled receptor 0.0038 0.0087 0.0067
Onchocerca volvulus 0.0038 0.0087 0.0119
Schistosoma mansoni biogenic amine receptor 0.0038 0.0087 0.0164
Brugia malayi jmjC domain containing protein 0.0115 0.1205 0.1166
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) norepinephrine transporter 0.0146 0.1657 0.162
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.0007
Echinococcus multilocularis dro:myosuppressin receptor 0.0038 0.0087 0.0058
Echinococcus multilocularis serotonin receptor 0.0159 0.184 0.2398
Echinococcus granulosus tm gpcr rhodopsin 0.0552 0.753 1
Brugia malayi beta-lactamase 0.0035 0.0048 0.0004
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0087 0.0043
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0055 0.0018
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0038 0.0087 0.0043
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.006 0.04 0.0357
Echinococcus granulosus G protein coupled receptor 139 0.0038 0.0087 0.0067
Echinococcus granulosus neuropeptide receptor 0.0038 0.0087 0.0067
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1217 0.1179
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0038 0.0087 0.0119
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0035 0.0048 0.001
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0048 0.0005
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0087 0.0067
Echinococcus multilocularis neuropeptide s receptor 0.0038 0.0087 0.0058
Echinococcus granulosus alpha 1A adrenergic receptor 0.0038 0.0087 0.0067
Schistosoma mansoni biogenic amine (5HT) receptor 0.0159 0.184 0.6823
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0038 0.0087 0.0119
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0048 0.017
Plasmodium falciparum plasmepsin IV 0.0074 0.0605 1
Brugia malayi hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1205 0.1559
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Brugia malayi putative neuropeptide receptor NPR1 0.0038 0.0087 0.0043
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0074 0.0605 0.1535
Brugia malayi follicle stimulating hormone receptor 0.0038 0.0087 0.0043
Onchocerca volvulus 0.0036 0.0056 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0087 0.0058
Onchocerca volvulus 0.006 0.04 0.0977
Brugia malayi jmjC domain containing protein 0.0043 0.0151 0.0108
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni biogenic amine receptor 0.0038 0.0087 0.0164
Schistosoma mansoni amine GPCR 0.0038 0.0087 0.0164
Schistosoma mansoni neuropeptide F-like receptor 0.0038 0.0087 0.0164
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0048 0.0014
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0087 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0056 0.0046
Brugia malayi vesicular acetylcholine transporter unc-17 0.0217 0.2676 0.2643
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Schistosoma mansoni cellular tumor antigen P53 0.006 0.04 0.1351
Schistosoma mansoni inositol monophosphatase 0.0036 0.0055 0.004
Schistosoma mansoni hypothetical protein 0.0164 0.1907 0.7079
Loa Loa (eye worm) solute carrier family 6 member 4 0.0146 0.1657 0.162
Loa Loa (eye worm) hypothetical protein 0.0159 0.184 0.1803
Echinococcus multilocularis G protein coupled receptor 139 0.0038 0.0087 0.0058
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0074 0.0605 0.0759
Brugia malayi larval opioid receptor 0.0038 0.0087 0.0043
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0038 0.0087 0.0043
Trypanosoma brucei C-8 sterol isomerase, putative 0.0722 1 1
Echinococcus multilocularis allatostatin A receptor 0.0038 0.0087 0.0058
Schistosoma mansoni myosin xvIII 0.0038 0.0087 0.0164
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0038 0.0087 0.0164
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0038 0.0087 0.0164
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0087 0.0058
Echinococcus granulosus allatostatin A receptor 0.0038 0.0087 0.0067
Schistosoma mansoni neuropeptide receptor 0.0038 0.0087 0.0164
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1205 0.1551
Brugia malayi G protein-coupled receptor F59B2.13 0.0038 0.0087 0.0043
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0055 0.0007
Brugia malayi neuropeptide F receptor 0.0038 0.0087 0.0043
Mycobacterium leprae Probable lipase LipE 0.0035 0.0048 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0722 1 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0044 0.0009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0048 0.0004
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0038 0.0087 0.0164
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0055 0.0018
Onchocerca volvulus Neuropeptide F receptor homolog 0.0038 0.0087 0.0119
Brugia malayi Serotonin receptor 0.0038 0.0087 0.0043
Echinococcus multilocularis g-protein coupled receptor 0.0038 0.0087 0.0058
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Loa Loa (eye worm) hypothetical protein 0.0035 0.0048 0.0004
Echinococcus granulosus orexin receptor type 2 0.0038 0.0087 0.0067
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0038 0.0087 0.0043
Schistosoma mansoni hypothetical protein 0.0038 0.0087 0.0164
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0038 0.0087 0.0043
Echinococcus granulosus somatostatin receptor 0.0038 0.0087 0.0067
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0087 0.0067
Echinococcus granulosus neuropeptide receptor 0.0038 0.0087 0.0067
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0244 0.0276
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0087 0.0067
Onchocerca volvulus 0.0038 0.0087 0.0119
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0056 0.0046
Brugia malayi Pre-SET motif family protein 0.0036 0.0056 0.0012
Loa Loa (eye worm) hypothetical protein 0.0038 0.0087 0.0043

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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