Detailed information for compound 1476616

Basic information

Technical information
  • TDR Targets ID: 1476616
  • Name: 1-[bis(4-chlorophenyl)methoxy]-3-(3,4-dihydro -1H-isoquinolin-2-yl)propan-2-ol
  • MW: 442.378 | Formula: C25H25Cl2NO2
  • H donors: 1 H acceptors: 1 LogP: 5.47 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCc2c(C1)cccc2)COC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C25H25Cl2NO2/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
  • InChiKey: XIRMZNKBAGVWMK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

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

Activities

No activities found for this compound.

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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