Detailed information for compound 1291733

Basic information

Technical information
  • TDR Targets ID: 1291733
  • Name: 1-[bis(4-chlorophenyl)methoxy]-3-(3,4-dihydro -1H-isoquinolin-2-yl)propan-2-ol hydrochlorid e
  • MW: 478.838 | Formula: C25H26Cl3NO2
  • H donors: 1 H acceptors: 1 LogP: 6.27 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCc2c(C1)cccc2)COC(c1ccc(cc1)Cl)c1ccc(cc1)Cl.Cl
  • InChi: 1S/C25H25Cl2NO2.ClH/c26-22-9-5-19(6-10-22)25(20-7-11-23(27)12-8-20)30-17-24(29)16-28-14-13-18-3-1-2-4-21(18)15-28;/h1-12,24-25,29H,13-17H2;1H
  • InChiKey: JGLQFGYYRUKNRX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • T0504-8720
  • MLS000391675
  • SMR000260710

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens trace amine associated receptor 1 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans replicative DNA helicase DnaB Get druggable targets OG5_131890 All targets in OG5_131890
Wolbachia endosymbiont of Brugia malayi replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni Replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Treponema pallidum replicative DNA helicase (dnaB) Get druggable targets OG5_131890 All targets in OG5_131890
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis replicative DNA helicase Get druggable targets OG5_131890 All targets in OG5_131890
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis sex peptide receptor trace amine associated receptor 1 339 aa 281 aa 17.1 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) malate dehydrogenase 0.0323 0.1407 0.361
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.0321 0.0822
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0109 0.0358 0.0918
Echinococcus multilocularis neuropeptide receptor A26 0.0566 0.2596 0.6648
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0323 0.1407 0.3604
Echinococcus multilocularis lactate dehydrogenase a 0.0832 0.3897 0.9982
Schistosoma mansoni hypothetical protein 0.0041 0.0025 0.0063
Brugia malayi Thioredoxin reductase 0.0048 0.0059 0.015
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0125 0.0321
Onchocerca volvulus 0.005 0.0069 0.0679
Schistosoma mansoni hypothetical protein 0.0041 0.0026 0.0066
Echinococcus multilocularis malate dehydrogenase 0.0323 0.1407 0.3604
Schistosoma mansoni malate dehydrogenase 0.0323 0.1407 0.3604
Mycobacterium ulcerans replicative DNA helicase DnaB 0.0467 0.2108 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0002 0.0006
Loa Loa (eye worm) glutathione reductase 0.0048 0.0059 0.015
Echinococcus granulosus neuropeptide receptor A26 0.0566 0.2596 0.6648
Brugia malayi glutathione reductase 0.0048 0.0059 0.015
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.3904 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.045 0.1152
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0323 0.1407 1
Plasmodium vivax malate dehydrogenase, putative 0.0832 0.3897 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.042 0.042
Echinococcus multilocularis malate dehydrogenase 0.0323 0.1407 0.3604
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Onchocerca volvulus 0.0245 0.1021 1
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.0317 0.0807
Echinococcus granulosus geminin 0.0205 0.0825 0.2114
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0034 0.0086
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0323 0.1407 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.135 0.3465
Echinococcus multilocularis neuropeptide s receptor 0.0566 0.2596 0.6648
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0832 0.3897 0.9982
Loa Loa (eye worm) hypothetical protein 0.0125 0.0433 0.1111
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.036 0.036
Toxoplasma gondii thioredoxin reductase 0.0048 0.0059 0.015
Mycobacterium ulcerans malate dehydrogenase 0.0323 0.1407 0.6672
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0059 0.015
Loa Loa (eye worm) malate dehydrogenase 0.0323 0.1407 0.361
Mycobacterium leprae Conserved hypothetical protein 0.0612 0.2818 1
Echinococcus granulosus malate dehydrogenase 0.0323 0.1407 0.3604
Echinococcus granulosus transcription factor eb 0.011 0.036 0.0923
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0101 0.0317 0.3102
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.0317 0.0807
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0323 0.1407 1
Echinococcus granulosus L lactate dehydrogenase 0.0509 0.2314 0.5926
Echinococcus multilocularis lactate dehydrogenase a 0.0832 0.3897 0.9982
Schistosoma mansoni hypothetical protein 0.0205 0.0825 0.2114
Leishmania major mitochondrial malate dehydrogenase 0.0323 0.1407 0.361
Trypanosoma cruzi malate dehydrogenase, putative 0.0323 0.1407 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0323 0.1407 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0323 0.1407 1
Chlamydia trachomatis replicative DNA helicase 0.0467 0.2108 1
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0323 0.1407 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0059 0.015
Brugia malayi hypothetical protein 0.0037 0.0002 0.0006
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Loa Loa (eye worm) hypothetical protein 0.006 0.0118 0.0303
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0323 0.1407 0.4993
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.3904 1
Schistosoma mansoni hypothetical protein 0.0205 0.0825 0.2114
Echinococcus multilocularis lactate dehydrogenase protein 0.0832 0.3897 0.9982
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0323 0.1407 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0832 0.3897 1
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0323 0.1407 0.3604
Schistosoma mansoni malate dehydrogenase 0.0323 0.1407 0.3604
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0323 0.1407 0.361
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0002 0.0006
Echinococcus multilocularis protein dispatched 1 0.0049 0.0063 0.0162
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0323 0.1407 0.3606
Loa Loa (eye worm) hypothetical protein 0.01 0.0313 0.0804
Trypanosoma brucei cytosolic malate dehydrogenase 0.0323 0.1407 1
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0125 0.0321
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.042 0.042
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0025 0.0064
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0313 0.0798
Schistosoma mansoni L-lactate dehydrogenase 0.0832 0.3897 0.9982
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0002 0.0006
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0125 0.0322
Mycobacterium tuberculosis Probable reductase 0.011 0.036 0.036
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0879 0.625
Echinococcus granulosus X box binding protein 1 0.0293 0.1257 0.322
Loa Loa (eye worm) hypothetical protein 0.0832 0.3897 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0125 0.0595
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0118 0.0303
Echinococcus granulosus cytosolic malate dehydrogenase 0.0323 0.1407 0.3604
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Plasmodium vivax lactate dehydrogenase 0.0832 0.3897 1
Loa Loa (eye worm) twinkle helicase 0.0133 0.0476 0.1222
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Giardia lamblia Malate dehydrogenase 0.0323 0.1407 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.015 0.056 0.1434
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0879 0.625
Brugia malayi hypothetical protein 0.0182 0.0717 0.1839
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Brugia malayi HSF-type DNA-binding domain containing protein 0.0101 0.0317 0.0813
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0323 0.1407 0.1407
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0313 0.0802
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0323 0.1407 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0059 0.0416
Loa Loa (eye worm) hypothetical protein 0.0109 0.0358 0.0918
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0118 0.0303
Leishmania major malate dehydrogenase, putative 0.0323 0.1407 0.361
Echinococcus granulosus expressed conserved protein 0.0094 0.0284 0.0726
Entamoeba histolytica heat shock transcription factor, putative 0.0101 0.0317 0.0807
Toxoplasma gondii lactate dehydrogenase LDH2 0.0832 0.3897 1
Echinococcus multilocularis transcription factor eb 0.011 0.036 0.0923
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.0953 0.0953
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0059 0.015
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0125 0.0595
Entamoeba histolytica malate dehydrogenase, putative 0.0832 0.3897 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0323 0.1407 1
Leishmania major malate dehydrogenase 0.0323 0.1407 0.361
Plasmodium falciparum lactate dehydrogenase, putative 0.0323 0.1407 0.3512
Plasmodium falciparum malate dehydrogenase 0.0832 0.3897 1
Echinococcus multilocularis tumor protein p63 0.0343 0.1505 0.3855
Brugia malayi hypothetical protein 0.0125 0.0433 0.1111
Echinococcus granulosus lactate dehydrogenase a 0.0832 0.3897 0.9982
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.042 0.042
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0313 0.0804
Schistosoma mansoni hypothetical protein 0.0128 0.045 0.1152
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0118 0.0303
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0034 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0034 0.0238
Schistosoma mansoni malate dehydrogenase 0.0323 0.1407 0.3604
Trypanosoma cruzi malate dehydrogenase, putative 0.0323 0.1407 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.036 0.036
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0323 0.1407 0.361
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.036 0.1278
Entamoeba histolytica malate dehydrogenase, putative 0.0323 0.1407 0.3606
Toxoplasma gondii malate dehydrogenase MDH 0.0832 0.3897 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0832 0.3897 1
Trypanosoma brucei glycosomal malate dehydrogenase 0.0323 0.1407 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0323 0.1407 0.3604
Leishmania major trypanothione reductase 0.0048 0.0059 0.015
Schistosoma mansoni L-lactate dehydrogenase 0.0323 0.1407 0.3604
Echinococcus multilocularis expressed conserved protein 0.0094 0.0284 0.0726
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0323 0.1407 0.361
Echinococcus granulosus neuropeptide s receptor 0.0566 0.2596 0.6648
Onchocerca volvulus Huntingtin homolog 0.0125 0.0433 0.424
Loa Loa (eye worm) hypothetical protein 0.0101 0.0317 0.0813
Leishmania major glycosomal malate dehydrogenase 0.0323 0.1407 0.361
Schistosoma mansoni hypothetical protein 0.0041 0.0026 0.0066
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0034 0.0086
Loa Loa (eye worm) hypothetical protein 0.0125 0.0433 0.1111
Schistosoma mansoni Replicative DNA helicase 0.0467 0.2108 0.5401
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0125 0.0321
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0125 0.0125
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0059 0.0059
Schistosoma mansoni patched 1 0.0043 0.0034 0.0086
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0825 0.5866
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0125 0.0595
Loa Loa (eye worm) hypothetical protein 0.0043 0.0034 0.0086
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.036 0.036
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.042 0.149
Brugia malayi lactate dehydrogenase. 0.0832 0.3897 1
Echinococcus multilocularis X box binding protein 1 0.0293 0.1257 0.322
Mycobacterium leprae PROBABLE REPLICATIVE DNA HELICASE DNAB replicative DNA helicase 0.0467 0.2108 0.7483
Schistosoma mansoni thyroid hormone receptor 0.015 0.056 0.1434
Leishmania major cytosolic malate dehydrogenase 0.0323 0.1407 0.361
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0323 0.1407 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0717 0.1839
Schistosoma mansoni malate dehydrogenase 0.0832 0.3897 0.9982
Echinococcus multilocularis geminin 0.0205 0.0825 0.2114
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0125 0.0321
Loa Loa (eye worm) hypothetical protein 0.0053 0.0081 0.0207
Trichomonas vaginalis malate dehydrogenase, putative 0.0158 0.0595 0.4227
Schistosoma mansoni thyroid hormone receptor 0.015 0.056 0.1434
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.036 0.036
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0034 0.0086
Mycobacterium tuberculosis RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)]. 0.1612 0.7715 0.7715
Echinococcus granulosus microtubule associated protein 2 0.0833 0.3904 1
Schistosoma mansoni hypothetical protein 0.0041 0.0026 0.0066
Brugia malayi CHE-14 protein 0.0043 0.0034 0.0086
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Echinococcus multilocularis lactate dehydrogenase a 0.0832 0.3897 0.9982
Schistosoma mansoni hypothetical protein 0.0041 0.0026 0.0066
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Trichomonas vaginalis malate dehydrogenase, putative 0.0158 0.0595 0.4227
Plasmodium falciparum L-lactate dehydrogenase 0.0832 0.3897 1
Echinococcus multilocularis L lactate dehydrogenase 0.0509 0.2314 0.5926
Loa Loa (eye worm) pax transcription factor protein 2 0.0245 0.1021 0.262
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.036 0.036
Trypanosoma brucei trypanothione reductase 0.0048 0.0059 0.0416
Onchocerca volvulus Huntingtin homolog 0.0125 0.0433 0.424
Echinococcus granulosus malate dehydrogenase 0.0323 0.1407 0.3604
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.0523 0.1341
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0825 0.8083
Schistosoma mansoni hypothetical protein 0.0037 0.0002 0.0006
Echinococcus multilocularis protein patched 0.0043 0.0034 0.0086
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.135 0.9599
Echinococcus granulosus L lactate dehydrogenase B chain 0.0832 0.3897 0.9982
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Onchocerca volvulus 0.0182 0.0717 0.7021
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0059 0.015
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.045 0.1152
Loa Loa (eye worm) hypothetical protein 0.005 0.0069 0.0178
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0313 0.0802
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.135 0.3465
Leishmania major malate dehydrogenase, putative 0.0832 0.3897 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0323 0.1407 1
Brugia malayi Pax transcription factor protein 2 0.0245 0.1021 0.262
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0069 0.0178
Schistosoma mansoni hypothetical protein 0.0293 0.1257 0.322
Echinococcus granulosus lactate dehydrogenase a 0.0832 0.3897 0.9982
Plasmodium vivax glutathione reductase, putative 0.0048 0.0059 0.015
Echinococcus granulosus tumor protein p63 0.0343 0.1505 0.3855
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.011 0.036 0.0925
Echinococcus granulosus lactate dehydrogenase protein 0.0832 0.3897 0.9982
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0125 0.0322
Loa Loa (eye worm) hypothetical protein 0.0041 0.0025 0.0064
Trypanosoma brucei malate dehydrogenase-related 0.0323 0.1407 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0824 0.3859 0.9884
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.0523 0.1341
Treponema pallidum replicative DNA helicase (dnaB) 0.0467 0.2108 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 2.263 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Inhibitors of DnaB-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
AC50 (functional) = 3.838 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Secondary Screen to Identify Non-Covalent Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2223, AID489010, AID492950] ChEMBL. No reference
EC50 (functional) = 2.13 uM PubChem BioAssay. Fluorescence-based cell-based high throughput dose response assay to identify agonists of the human trace amine associated receptor 1 (TAAR1). (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) = 81.5 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inhibitors of RecA-Intein Splicing Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2097, AID2223, AID489010, AID492950] ChEMBL. No reference
IC50 (functional) = 9.255 uM PubChem BioAssay. Counterscreen for agonists of the human trace amine associated receptor 1 (hTAAR1): Fluorescence-based cell-based high throughput dose response assay to identify hTAAR1 agonist that also desensitize TAAR1 receptor response. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 89.1251 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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