Detailed information for compound 1540389

Basic information

Technical information
  • TDR Targets ID: 1540389
  • Name: 4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carbo xamide
  • MW: 323.429 | Formula: C21H25NO2
  • H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)C1(CCOCC1)c1ccccc1)Cc1ccccc1
  • InChi: 1S/C21H25NO2/c1-17(16-18-8-4-2-5-9-18)22-20(23)21(12-14-24-15-13-21)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,22,23)
  • InChiKey: SPYHTFNRKURGIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-methyl-2-phenyl-ethyl)-4-phenyl-tetrahydropyran-4-carboxamide
  • N-(1-methyl-2-phenylethyl)-4-phenyl-4-tetrahydropyrancarboxamide
  • Oprea1_344937
  • MLS000067546
  • 4-Phenyl-tetrahydro-pyran-4-carboxylic acid (1-methyl-2-phenyl-ethyl)-amide
  • BAS 03026495
  • STOCK1N-31282
  • Oprea1_497546
  • ChemDiv1_023974
  • SMR000115874

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.0101 0.0101
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0101 0.0109
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.0543 0.1014
Brugia malayi nuclear receptor RXR 0.0023 0.0148 0.0302
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0032 0.0043
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0213 0.3777 0.3757
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.0543 0.1014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.0543 0.1014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0032 0.024
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0075 1
Mycobacterium tuberculosis Conserved protein 0.0074 0.1127 0.1098
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0264 0.0412
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Brugia malayi glutaminase DH11.1 0.0271 0.4897 1
Brugia malayi MH2 domain containing protein 0.0122 0.2041 0.4168
Onchocerca volvulus 0.0044 0.0543 0.1095
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.0199
Onchocerca volvulus 0.0074 0.1127 0.2542
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0032 0.0045
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.0647 0.1084
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0543 0.1108
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0101 0.0205
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0101 0.0152
Echinococcus multilocularis thyroid hormone receptor alpha 0.0177 0.3089 0.488
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1473 0.2334
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0147 0.0225
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0047 0.0598 0.0903
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0112 0.1853 0.0818
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0032 0.024
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.1127 0.1098
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.0543 0.0815
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Schistosoma mansoni zinc finger protein 0.0021 0.0101 0.0152
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.0543 0.1095
Brugia malayi nuclear receptor NHR-88 0.0044 0.0543 0.1108
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.0543 0.1108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.2417 0.2393
Echinococcus granulosus geminin 0.0344 0.6298 1
Treponema pallidum fructose-bisphosphate aldolase 0.029 0.5256 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.0647 0.0617
Echinococcus granulosus tar DNA binding protein 0.0064 0.0935 0.1442
Mycobacterium tuberculosis Probable dehydrogenase 0.0112 0.1853 0.1827
Echinococcus multilocularis nuclear receptor nhr 48 0.0021 0.0101 0.0109
Trypanosoma brucei trypanothione reductase 0.0049 0.0647 0.5723
Brugia malayi beta-lactamase 0.0074 0.1127 0.2301
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.0543 0.1014
Plasmodium vivax SET domain protein, putative 0.0029 0.0264 0.212
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0032 0.0065
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0075 0.0627
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0112 0.1853 0.1827
Schistosoma mansoni coup transcription factor 0.0044 0.0543 0.0854
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0935 0.1478
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.0199
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.0874 0.1343
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0101 0.0109
Brugia malayi Pre-SET motif family protein 0.0029 0.0264 0.0539
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.1127 0.1098
Leishmania major hypothetical protein, conserved 0.0074 0.1127 1
Brugia malayi ecdysone receptor 0.0021 0.0101 0.0205
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0077 0.1183 0.1837
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0032 0.024
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.024
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0075 0.0119
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Toxoplasma gondii exonuclease III APE 0.0019 0.0075 0.0396
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.1127 0.2219
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0409 0.0601
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0125 0.2093 0.1089
Brugia malayi Pre-SET motif family protein 0.0203 0.3598 0.7348
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0032 0.0045
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0409 0.0601
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0935 0.1478
Schistosoma mansoni thyroid hormone receptor 0.0177 0.3089 0.4902
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.0543 0.1108
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0075 0.0069
Loa Loa (eye worm) hypothetical protein 0.0042 0.0503 0.0931
Schistosoma mansoni zinc finger protein 0.002 0.0089 0.0133
Schistosoma mansoni nuclear receptor 0.0021 0.0101 0.0152
Leishmania major trypanothione reductase 0.0049 0.0647 0.5723
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.0543 0.0854
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.0543 0.0854
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1473 0.2301
Schistosoma mansoni hypothetical protein 0.0133 0.2253 0.3572
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1127 0.2096
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0039 0.0012
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0264 0.037
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1127 0.1894
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.0543 0.0815
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0112 0.1853 0.1827
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0538 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.0874 0.1343
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.5256 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.0543 0.1108
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.1127 0.1098
Echinococcus granulosus nuclear receptor nhr 48 0.0021 0.0101 0.0109
Loa Loa (eye worm) hypothetical protein 0.0072 0.1089 0.2142
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0101 0.0152
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0075 0.0083
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.1473 0.3009
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0203 0.3598 0.732
Loa Loa (eye worm) glutaminase 0.0271 0.4897 1
Onchocerca volvulus 0.0029 0.0264 0.0405
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.024
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0039 0.0055
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.0101 0.0205
Echinococcus granulosus FTZ F1 alpha 0.0044 0.0543 0.0815
Loa Loa (eye worm) hypothetical protein 0.0039 0.0456 0.0836
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0075 0.0119
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0148 0.0302
Echinococcus granulosus histone lysine methyltransferase setb 0.0047 0.0598 0.0903
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0101 0.0109
Echinococcus multilocularis zinc finger protein 0.002 0.0089 0.0091
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.0543 0.0815
Schistosoma mansoni ap endonuclease 0.0019 0.0075 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0598 0.0942
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0047 0.0598 0.0942
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0325 0.5929 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0032 0.024
Onchocerca volvulus 0.0074 0.1127 0.2542
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0021 0.0101 0.0152
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0543 0.1108
Brugia malayi Thioredoxin reductase 0.0049 0.0647 0.1321
Brugia malayi hypothetical protein 0.0021 0.0101 0.0205
Brugia malayi nuclear receptor NHR-88 0.0021 0.0101 0.0205
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.0543 0.0815
Brugia malayi Bromodomain containing protein 0.0039 0.0455 0.0929
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0148 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1473 0.2301
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.2417 0.1454
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.0543 0.1108
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1127 0.1783
Onchocerca volvulus 0.0074 0.1127 0.2542
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.2253 0.3544
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0325 0.5929 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1127 0.2096
Brugia malayi nuclear hormone receptor 0.0021 0.0101 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0935 0.1478
Brugia malayi steroid hormone receptor 0.0044 0.0543 0.1108
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0112 0.1853 0.1827
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.2041 0.4106
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.1127 0.1098
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.0543 0.0854
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0075 0.0083
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.0647 0.1229
Mycobacterium tuberculosis Conserved protein 0.0074 0.1127 0.1098
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.0543 0.1095
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0935 0.1478
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.1127 0.1098
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.0101 0.0205
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0148 0.0227
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Brugia malayi nuclear receptor RXR 0.0021 0.0101 0.0205
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0075 0.0705
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Mycobacterium ulcerans hypothetical protein 0.0074 0.1127 0.1098
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.1127 1
Schistosoma mansoni hypothetical protein 0.0021 0.0109 0.0166
Plasmodium vivax glutathione reductase, putative 0.0049 0.0647 0.5618
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0543 0.0815
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0325 0.5929 1
Schistosoma mansoni glutaminase 0.0271 0.4897 0.7775
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.1127 0.2096
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.0543 0.1108
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.0543 0.1108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.0543 0.0815
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.0543 0.1014
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.0543 0.1108
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0125 0.2093 0.2067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.0543 0.1014
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.0647 0.0982
Brugia malayi Bromodomain containing protein 0.0077 0.1173 0.2395
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.0543 0.0815
Schistosoma mansoni hypothetical protein 0.0344 0.6298 1
Brugia malayi nuclear receptor NHR-67 0.0021 0.0101 0.0205
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.0543 0.0815
Echinococcus granulosus zinc finger protein 0.002 0.0089 0.0091
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0101 0.0205
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.0543 0.1014
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0543 0.0815
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0474 0.8785 0.8782
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.0543 0.0815
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0935 0.1824
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0075 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0543 0.1108
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.0543 0.1014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.1473 0.2934
Mycobacterium ulcerans beta-lactamase 0.0074 0.1127 0.1098
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0032 0.0045
Schistosoma mansoni nuclear receptor 0.0021 0.0101 0.0152
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.1127 0.1748
Schistosoma mansoni ap endonuclease 0.0019 0.0075 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0264 0.0412
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.0543 0.0854
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0213 0.3777 0.3757
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0935 0.1824
Treponema pallidum penicillin-binding protein (pbp-3) 0.0213 0.3777 0.7168
Schistosoma mansoni bromodomain containing protein 0.0065 0.0944 0.1492
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0935 0.1442
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Loa Loa (eye worm) glutaminase 2 0.0271 0.4897 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0039 0.0012
Brugia malayi beta-lactamase family protein 0.0074 0.1127 0.2301
Loa Loa (eye worm) DR-78 0.0021 0.0101 0.0101
Toxoplasma gondii ABC1 family protein 0.0074 0.1127 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1473 0.2334
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0021 0.0101 0.0152
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0935 0.1478
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.0101 0.0101
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0543 0.1108
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0147 0.0183
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Echinococcus granulosus nuclear factor of activated T cells 5 0.0077 0.1183 0.1837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.1473 0.2301
Brugia malayi tailless protein 0.0021 0.0101 0.0205
Brugia malayi TAR-binding protein 0.0064 0.0935 0.191
Trichomonas vaginalis glutaminase, putative 0.0271 0.4897 0.9313
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0543 0.0815
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0148 0.0185
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0543 0.1108
Schistosoma mansoni nuclear receptor nhr-48 0.0021 0.0101 0.0152
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.0543 0.0854
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0044 0.054 0.1008
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0213 0.3777 0.2986
Loa Loa (eye worm) beta-lactamase 0.0074 0.1127 0.2219
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.0199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0101 0.0109
Brugia malayi glutathione reductase 0.0049 0.0647 0.1321
Loa Loa (eye worm) RNA binding protein 0.0064 0.0935 0.1824
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.0101 0.0205
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.0543 0.0815
Brugia malayi conserved hypotetical protein 0.0021 0.0101 0.0205
Mycobacterium ulcerans lipase LipD 0.0074 0.1127 0.1098
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0075 0.0627
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0148 0.0302
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.029 0.5256 1
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0538 1 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.1127 0.2219
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0148 0.0185
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.0543 0.0815
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0075 0.0083
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.0199
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0543 0.1108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Brugia malayi hypothetical protein 0.0021 0.0101 0.0205
Trichomonas vaginalis set domain proteins, putative 0.0231 0.4136 0.7856
Brugia malayi RNA binding protein 0.0064 0.0935 0.191
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.1127 0.1098
Trichomonas vaginalis esterase, putative 0.0074 0.1127 0.2096
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0032 0.024
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0021 0.0101 0.0109
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.0543 0.1095
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0244 0.0338
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.0647 0.0982
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.0543 0.1108
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.029 0.5256 1
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.1127 0.1098
Brugia malayi PHD-finger family protein 0.0025 0.0193 0.0394
Plasmodium falciparum glutathione reductase 0.0049 0.0647 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.1127 0.1894
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.0543 0.0815
Schistosoma mansoni hypothetical protein 0.0344 0.6298 1
Giardia lamblia Fructose-bisphosphate aldolase 0.029 0.5256 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0112 0.1853 0.1827
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.0101 0.0205
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014
Plasmodium falciparum thioredoxin reductase 0.0049 0.0647 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0125 0.2093 0.2067
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.0543 0.0854
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0075 0.0069
Loa Loa (eye worm) hypothetical protein 0.0047 0.0598 0.1127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0148 0.0227
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0075 0.0396
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.1127 0.2301
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.0325 0.5929 1
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1127 0.2096
Brugia malayi ecdysteroid receptor 0.0044 0.0543 0.1108
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0543 0.0854
Mycobacterium tuberculosis Probable reductase 0.0112 0.1853 0.1827
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0032 0.0045
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0109 0.012
Mycobacterium ulcerans glutaminase 0.0271 0.4897 0.4881
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.0543 0.1108
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0039 0.0055
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.0543 0.0854
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.2253 0.3544
Brugia malayi beta-lactamase family protein 0.0074 0.1127 0.2301
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0032 0.024
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0032 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.2041 0.4106
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.0543 0.0854
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0125 0.2093 0.2067
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0075 0.0044
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0021 0.0101 0.0109
Onchocerca volvulus 0.0232 0.4139 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0935 0.191
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0075 0.0044
Brugia malayi hypothetical protein 0.0023 0.0148 0.0302
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.1473 0.2301
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.2417 0.2393
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0021 0.0101 0.0109
Mycobacterium tuberculosis Conserved protein 0.0074 0.1127 0.1098
Plasmodium vivax hypothetical protein, conserved 0.0074 0.1127 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0101 0.0109
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.1127 0.1748
Loa Loa (eye worm) hypothetical protein 0.0021 0.0101 0.0101
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0264 0.212
Echinococcus multilocularis geminin 0.0344 0.6298 1
Schistosoma mansoni nuclear hormone receptor 0.0044 0.0543 0.0854
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0543 0.0815
Treponema pallidum hypothetical protein 0.0213 0.3777 0.7168
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.1127 0.1098
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0101 0.0109
Loa Loa (eye worm) glutathione reductase 0.0049 0.0647 0.1229
Schistosoma mansoni thyroid hormone receptor 0.0177 0.3089 0.4902
Brugia malayi hypothetical protein 0.0023 0.0148 0.0302
Loa Loa (eye worm) hypothetical protein 0.0023 0.0148 0.0199
Brugia malayi nuclear hormone receptor 0.0044 0.0543 0.1108
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.1127 0.1098
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.1127 0.2096
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0075 0.0083
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.0647 0.5618
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.1127 0.1783
Toxoplasma gondii thioredoxin reductase 0.0049 0.0647 0.5618
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.0543 0.0815
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0543 0.1108
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.1473 0.2334
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0075 0.0154
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0147 0.0183
Echinococcus granulosus thyroid hormone receptor alpha 0.0021 0.0101 0.0109
Loa Loa (eye worm) hypothetical protein 0.0044 0.0543 0.1014

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 70.7946 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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