Detailed information for compound 1538565

Basic information

Technical information
  • TDR Targets ID: 1538565
  • Name: (4S,6S)-6-(4-hydroxybutoxy)-N-(phenylmethyl)- 4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H- pyran-2-carboxamide
  • MW: 449.463 | Formula: C24H26F3NO4
  • H donors: 2 H acceptors: 2 LogP: 4.52 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCO[C@H]1OC(=C[C@H](C1)c1ccc(cc1)C(F)(F)F)C(=O)NCc1ccccc1
  • InChi: 1S/C24H26F3NO4/c25-24(26,27)20-10-8-18(9-11-20)19-14-21(32-22(15-19)31-13-5-4-12-29)23(30)28-16-17-6-2-1-3-7-17/h1-3,6-11,14,19,22,29H,4-5,12-13,15-16H2,(H,28,30)/t19-,22+/m1/s1
  • InChiKey: KHVGLDBWSRKCQA-KNQAVFIVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4S,6S)-N-(benzyl)-6-(4-hydroxybutoxy)-4-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyran-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0421 0.2339 0.2339
Schistosoma mansoni hypothetical protein 0.0205 0.1034 0.1955
Onchocerca volvulus Bile acid receptor homolog 0.0064 0.0181 1
Echinococcus granulosus geminin 0.0205 0.1034 0.2739
Brugia malayi Nuclear hormone receptor-like 1 0.0064 0.0181 0.0181
Echinococcus multilocularis GPCR, family 2 0.0421 0.2339 0.6198
Echinococcus granulosus tar DNA binding protein 0.0539 0.3053 0.8089
Schistosoma mansoni glycosyltransferase-related 0.0071 0.0226 0.0427
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1329 0.7831 0.7831
Schistosoma mansoni hypothetical protein 0.0205 0.1034 0.1955
Echinococcus multilocularis geminin 0.0205 0.1034 0.2739
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0064 0.0181 0.0181
Echinococcus granulosus ecdysone induced protein 78C 0.0064 0.0181 0.048
Loa Loa (eye worm) hypothetical protein 0.0909 0.5289 0.5289
Schistosoma mansoni nuclear hormone receptor 0.0064 0.0181 0.0343
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0064 0.0181 0.048
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0181 0.0181
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0043 0.0055 0.0146
Brugia malayi Isocitrate dehydrogenase 0.0352 0.1922 0.1922
Schistosoma mansoni coup transcription factor 0.0064 0.0181 0.0343
Brugia malayi photoreceptor-specific nuclear receptor 0.0316 0.1708 0.1708
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0064 0.0181 0.0343
Echinococcus granulosus GPCR family 2 0.0421 0.2339 0.6198
Brugia malayi Probable isocitrate dehydrogenase 0.0043 0.0055 0.0055
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0212 0.0562
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0115 0.0492 0.0931
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0181 0.0181
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0421 0.2339 0.6198
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0064 0.0181 0.0181
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0658 0.3774 1
Echinococcus multilocularis FTZ F1 alpha 0.0064 0.0181 0.048
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0064 0.0181 0.048
Brugia malayi isocitrate dehydrogenase 0.0352 0.1922 0.1922
Entamoeba histolytica tartrate dehydrogenase, putative 0.0043 0.0055 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0352 0.1922 0.5092
Echinococcus granulosus smad 0.0115 0.0492 0.1304
Loa Loa (eye worm) TAR-binding protein 0.0539 0.3053 0.3053
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0064 0.0181 0.0343
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0352 0.1922 0.5092
Brugia malayi MH1 domain containing protein 0.0064 0.0182 0.0182
Loa Loa (eye worm) Smad1 0.0115 0.0492 0.0492
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0352 0.1922 1
Echinococcus granulosus mothers against decapentaplegic 2 0.0051 0.0108 0.0286
Echinococcus granulosus Glycosyl transferase family 8 0.0071 0.0226 0.0599
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0352 0.1922 0.3633
Toxoplasma gondii LsmAD domain-containing protein 0.018 0.0883 0.4164
Schistosoma mansoni hypothetical protein 0.0421 0.2339 0.4422
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0064 0.0181 0.048
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0584 0.2835
Echinococcus granulosus TGF beta signal transducer SmadC 0.0115 0.0492 0.1304
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0532 0.3015 0.799
Loa Loa (eye worm) glycosyl transferase family 8 protein 0.0071 0.0226 0.0226
Echinococcus multilocularis thyroid hormone receptor alpha 0.0064 0.0181 0.048
Plasmodium falciparum ataxin-2 like protein, putative 0.018 0.0883 0.4164
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0352 0.1922 1
Brugia malayi TAR-binding protein 0.0539 0.3053 0.3053
Echinococcus multilocularis Smad4 0.0115 0.0492 0.1304
Toxoplasma gondii isocitrate dehydrogenase 0.0352 0.1922 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) MH2 domain-containing protein 0.0051 0.0108 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0064 0.0181 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0064 0.0181 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0064 0.0181 0.0181
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0672 1
Schistosoma mansoni smad 0.0051 0.0108 0.0204
Brugia malayi Calcitonin receptor-like protein seb-1 0.1329 0.7831 0.7831
Echinococcus multilocularis conserved hypothetical protein 0.0053 0.0115 0.0305
Onchocerca volvulus 0.0064 0.0181 1
Schistosoma mansoni Smad4 0.0051 0.0108 0.0204
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0181 0.0181
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0421 0.2339 0.6198
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0081 0.0284 0.0753
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0064 0.0181 0.0343
Schistosoma mansoni hypothetical protein 0.0421 0.2339 0.4422
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0584 0.2835
Brugia malayi glutathione reductase 0.0057 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0051 0.0108 0.0108
Schistosoma mansoni Smad4 0.0051 0.0108 0.0204
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0584 0.2835
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Schistosoma mansoni Smad4 0.0115 0.0492 0.0931
Schistosoma mansoni hypothetical protein 0.0421 0.2339 0.4422
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0064 0.0181 0.0181
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0115 0.0492 0.1304
Brugia malayi ecdysteroid receptor 0.0064 0.0181 0.0181
Schistosoma mansoni tar DNA-binding protein 0.0539 0.3053 0.5772
Echinococcus multilocularis mothers against decapentaplegic 5 0.0115 0.0492 0.1304
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0181 0.0343
Loa Loa (eye worm) hypothetical protein 0.0421 0.2339 0.2339
Loa Loa (eye worm) hypothetical protein 0.0064 0.0182 0.0182
Echinococcus granulosus mothers against decapentaplegic 5 0.0115 0.0492 0.1304
Schistosoma mansoni tar DNA-binding protein 0.0539 0.3053 0.5772
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0043 0.0055 0.0104
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0064 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Plasmodium falciparum ataxin-2 like protein, putative 0.018 0.0883 0.4164
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0064 0.0181 0.0181
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0352 0.1922 0.5092
Brugia malayi hypothetical protein 0.018 0.0883 0.0883
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0539 0.3053 0.3053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0352 0.1922 0.5092
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.0492 0.0492
Loa Loa (eye worm) hypothetical protein 0.0502 0.2834 0.2834
Loa Loa (eye worm) hypothetical protein 0.025 0.1306 0.1306
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0064 0.0181 0.0343
Echinococcus granulosus Glycosyltransferase protein LARGE1 0.0053 0.0115 0.0305
Schistosoma mansoni hypothetical protein 0.0081 0.0284 0.0537
Brugia malayi Steroid receptor seven-up type 2 0.0532 0.3015 0.3015
Toxoplasma gondii isocitrate dehydrogenase 0.0352 0.1922 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0672 0.3306
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0212 0.0562
Schistosoma mansoni hypothetical protein 0.0909 0.5289 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0421 0.2339 0.6198
Schistosoma mansoni isocitrate dehydrogenase 0.0043 0.0055 0.0104
Trypanosoma brucei PAB1-binding protein , putative 0.018 0.0883 0.4164
Brugia malayi MH2 domain containing protein 0.0115 0.0492 0.0492
Loa Loa (eye worm) hypothetical protein 0.018 0.0883 0.0883
Schistosoma mansoni smad1 5 8 and 0.0115 0.0492 0.0931
Trypanosoma cruzi PAB1-binding protein , putative 0.018 0.0883 0.4164
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0352 0.1922 1
Brugia malayi nuclear hormone receptor 0.0064 0.0181 0.0181
Brugia malayi RNA binding protein 0.0539 0.3053 0.3053
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0064 0.0181 0.0181
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0181 0.048
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0064 0.0181 0.0181
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0043 0.0055 0.0055
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0181 0.048
Loa Loa (eye worm) TK/ABL protein kinase 0.0658 0.3774 0.3774
Echinococcus multilocularis mothers against decapentaplegic 2 0.0051 0.0108 0.0286
Loa Loa (eye worm) MH1 domain-containing protein 0.0051 0.0108 0.0108
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Loa Loa (eye worm) glutathione reductase 0.0057 0.0142 0.0142
Echinococcus multilocularis tyrosine protein kinase Abl 0.0268 0.1418 0.3758
Schistosoma mansoni tar DNA-binding protein 0.0539 0.3053 0.5772
Brugia malayi Latrophilin receptor protein 2 0.0421 0.2339 0.2339
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0584 0.2835
Schistosoma mansoni smad1 5 8 and 0.0115 0.0492 0.0931
Brugia malayi Tyrosine-protein kinase abl-1 0.0268 0.1418 0.1418
Loa Loa (eye worm) hypothetical protein 0.0316 0.1708 0.1708
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0352 0.1922 0.5092
Echinococcus multilocularis Glycosyl transferase, family 8 0.0071 0.0226 0.0599
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0064 0.0181 0.048
Brugia malayi nuclear receptor NHR-88 0.0064 0.0181 0.0181
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0043 0.0055 0.0146
Schistosoma mansoni tyrosine kinase 0.0649 0.3717 0.7028
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0352 0.1922 1
Plasmodium vivax ataxin-2 like protein, putative 0.018 0.0883 0.4164
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0043 0.0055 0.0146
Echinococcus granulosus mothers against decapentaplegic 6 0.0051 0.0108 0.0286
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0081 0.0284 0.0753
Brugia malayi Tyrosine-protein kinase abl-1 0.0399 0.2208 0.2208
Echinococcus multilocularis smad 0.0115 0.0492 0.1304
Schistosoma mansoni unc-13 (munc13) 0.0043 0.0055 0.0104
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1329 0.7831 0.7831
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0064 0.0181 0.0181
Brugia malayi Smad1 0.0115 0.0492 0.0492
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0043 0.0055 0.0055
Schistosoma mansoni steroid hormone receptor ad4bp 0.0064 0.0181 0.0343
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0142 0.0377
Loa Loa (eye worm) nuclear hormone receptor 0.0499 0.2812 0.2812
Echinococcus multilocularis ecdysone induced protein 78C 0.0064 0.0181 0.048
Mycobacterium tuberculosis Probable reductase 0.013 0.0584 0.2835
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0064 0.0181 0.0181
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0064 0.0181 0.048
Loa Loa (eye worm) hypothetical protein 0.0043 0.0055 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0064 0.0181 0.0181
Brugia malayi steroid hormone receptor 0.0064 0.0181 0.0181
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0421 0.2339 0.6198
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0352 0.1922 1
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0043 0.0055 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Schistosoma mansoni retinoic acid receptor RXR 0.0064 0.0181 0.0343
Leishmania major hypothetical protein, conserved 0.018 0.0883 0.4436
Loa Loa (eye worm) hypothetical protein 0.0064 0.0181 0.0181
Brugia malayi Glycosyl transferase family 8 protein 0.0071 0.0226 0.0226
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0043 0.0055 0.5
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0584 0.8576
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0064 0.0181 0.0343
Loa Loa (eye worm) hypothetical protein 0.1329 0.7831 0.7831
Brugia malayi MH1 domain containing protein 0.0115 0.0492 0.0492
Loa Loa (eye worm) isocitrate dehydrogenase 0.0352 0.1922 0.1922
Schistosoma mansoni smad1 5 8 and 0.0115 0.0492 0.0931
Brugia malayi Probable isocitrate dehydrogenase 0.0043 0.0055 0.0055
Brugia malayi hypothetical protein 0.0116 0.0498 0.0498
Brugia malayi MH1 domain containing protein 0.0064 0.0182 0.0182
Loa Loa (eye worm) transcription factor SMAD2 0.1688 1 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0352 0.1922 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0043 0.0055 0.0055
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.0181 0.048
Echinococcus multilocularis glycosyltransferase protein LARGE2 0.0069 0.0212 0.0562
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0064 0.0181 0.048
Leishmania major trypanothione reductase 0.0057 0.0142 0.0466
Schistosoma mansoni tar DNA-binding protein 0.0539 0.3053 0.5772
Brugia malayi MH1 domain containing protein 0.0115 0.0492 0.0492
Brugia malayi latrophilin 2 splice variant baaae 0.0909 0.5289 0.5289
Echinococcus multilocularis tar DNA binding protein 0.0539 0.3053 0.8089
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0672 0.3306
Schistosoma mansoni hypothetical protein 0.0421 0.2339 0.4422
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0064 0.0181 0.0343
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0352 0.1922 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0672 0.3306
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0043 0.0055 0.0055
Echinococcus granulosus glycosyltransferase protein LARGE2 0.0069 0.0212 0.0562
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.0181 0.048
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0142 0.0142
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0064 0.0181 0.0181
Echinococcus granulosus tyrosine protein kinase ABL1 0.0658 0.3774 1
Schistosoma mansoni smad 0.0115 0.0492 0.0931
Loa Loa (eye worm) nuclear factor I 0.0064 0.0182 0.0182
Loa Loa (eye worm) latrophilin receptor protein 2 0.0421 0.2339 0.2339
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0064 0.0181 0.048
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0532 0.3015 0.799
Schistosoma mansoni tar DNA-binding protein 0.0539 0.3053 0.5772
Schistosoma mansoni thyroid hormone receptor 0.0064 0.0181 0.0343
Brugia malayi MH2 domain containing protein 0.0051 0.0108 0.0108
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0352 0.1922 0.5092
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0043 0.0055 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0064 0.0181 1
Brugia malayi Thioredoxin reductase 0.0057 0.0142 0.0142
Brugia malayi mothers against decapentaplegic homolog 3 0.0051 0.0108 0.0108
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0142 0.0377
Onchocerca volvulus Protein ultraspiracle homolog 0.0064 0.0181 1
Echinococcus multilocularis Glycosyltransferase protein LARGE1 0.0053 0.0115 0.0305
Echinococcus multilocularis mothers against decapentaplegic 6 0.0051 0.0108 0.0286
Echinococcus granulosus Smad4 0.0115 0.0492 0.1304
Brugia malayi RNA recognition motif domain containing protein 0.0539 0.3053 0.3053
Loa Loa (eye worm) steroid hormone receptor 0.0064 0.0181 0.0181
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0142 0.0466
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0043 0.0055 0.0146
Schistosoma mansoni RAR-like nuclear receptor 0.0064 0.0181 0.0343
Loa Loa (eye worm) MH1 domain-containing protein 0.0115 0.0492 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0064 0.0181 0.0181
Loa Loa (eye worm) MH2 domain-containing protein 0.1688 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0352 0.1922 1
Echinococcus granulosus FTZ F1 alpha 0.0064 0.0181 0.048
Brugia malayi MH2 domain containing protein 0.0115 0.0492 0.0492
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0584 0.2835
Loa Loa (eye worm) RNA binding protein 0.0539 0.3053 0.3053
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0064 0.0181 0.0181
Trypanosoma cruzi PAB1-binding protein , putative 0.018 0.0883 0.4164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0064 0.0181 0.0181

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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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