Detailed information for compound 44920

Basic information

Technical information
  • TDR Targets ID: 44920
  • Name: 4-chloro-2-[[5-chloro-3-(dimethylaminomethyl) -2-hydroxyphenyl]methyl]-6-(dimethylaminometh yl)phenol
  • MW: 383.312 | Formula: C19H24Cl2N2O2
  • H donors: 2 H acceptors: 2 LogP: 4.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cc(Cl)cc(c1O)Cc1cc(Cl)cc(c1O)CN(C)C)C
  • InChi: 1S/C19H24Cl2N2O2/c1-22(2)10-14-8-16(20)6-12(18(14)24)5-13-7-17(21)9-15(19(13)25)11-23(3)4/h6-9,24-25H,5,10-11H2,1-4H3
  • InChiKey: REEOIFCSJWJBJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-2-[[5-chloro-3-(dimethylaminomethyl)-2-hydroxy-phenyl]methyl]-6-(dimethylaminomethyl)phenol
  • 4-chloro-2-[5-chloro-3-(dimethylaminomethyl)-2-hydroxy-benzyl]-6-(dimethylaminomethyl)phenol
  • NSC142019

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
Entamoeba histolytica diacylglycerol kinase, putative 0.0014 0.009 0.009
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.3135 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0014 0.009 0.0105
Loa Loa (eye worm) PAR-6 protein 0.0014 0.009 0.009
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0019 0.0322 0.0377
Echinococcus multilocularis protein kinase c iota type 0.022 0.8537 1
Schistosoma mansoni lipoxygenase 0.0118 0.4352 0.4783
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0019 0.0322 0.0377
Echinococcus granulosus N chimaerin 0.0014 0.009 0.0105
Echinococcus granulosus protein kinase c epsilon type 0.0033 0.0883 0.1035
Schistosoma mansoni rab6-interacting 0.002 0.0335 0.0368
Loa Loa (eye worm) doublecortin family protein 0.002 0.0335 0.0335
Brugia malayi RhoGAP domain containing protein 0.0014 0.009 0.009
Loa Loa (eye worm) zinc finger protein 0.0014 0.009 0.009
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0088 0.3135 0.3446
Echinococcus granulosus RUN 0.002 0.0335 0.0392
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0019 0.0322 0.0322
Brugia malayi C1-like domain containing protein 0.0014 0.0107 0.0107
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0335 0.0392
Toxoplasma gondii AGC kinase 0.0019 0.0322 0.1027
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0014 0.0108 0.0108
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0088 0.3135 0.3135
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0088 0.3135 0.3135
Schistosoma mansoni lipoxygenase 0.0082 0.2901 0.3188
Loa Loa (eye worm) AGC/NDR protein kinase 0.0019 0.0322 0.0322
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0088 0.3135 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0256 1 1
Schistosoma mansoni serine/threonine kinase 0.0019 0.0322 0.0354
Echinococcus multilocularis serine:threonine protein kinase 38 0.0019 0.0322 0.0377
Leishmania major hypothetical protein, conserved 0.0014 0.009 0.0288
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0256 1 0.5
Schistosoma mansoni unc-13 (munc13) 0.0014 0.009 0.0098
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Brugia malayi Protein kinase domain containing protein 0.0014 0.0108 0.0108
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0107 0.0117
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.3135 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0322 0.0354
Brugia malayi RhoGAP domain containing protein 0.0014 0.009 0.009
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.3135 0.3673
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.009 0.0098
Schistosoma mansoni protein kinase C mu 0.0014 0.009 0.0098
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Loa Loa (eye worm) AGC/AKT protein kinase 0.0019 0.0322 0.0322
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.3135 0.3673
Entamoeba histolytica protein kinase, putative 0.0019 0.0322 0.0322
Brugia malayi diacylglycerol kinase 0.0014 0.009 0.009
Loa Loa (eye worm) AGC/PKN protein kinase 0.0019 0.0322 0.0322
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0019 0.0322 0.0377
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0014 0.009 0.009
Plasmodium vivax unspecified product 0.0111 0.4083 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0322 0.0322
Echinococcus multilocularis RUN 0.002 0.0335 0.0392
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0883 0.0971
Echinococcus granulosus myotubularin protein 13 0.0014 0.009 0.0105
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0014 0.009 0.0105
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0088 0.3135 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0335 0.0335
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.3135 0.3673
Brugia malayi Protein kinase domain containing protein 0.0019 0.0322 0.0322
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Brugia malayi Hr1 repeat family protein 0.0019 0.0322 0.0322
Brugia malayi fructose-bisphosphate aldolase 1 0.0088 0.3135 0.3135
Brugia malayi hypothetical protein 0.002 0.0335 0.0335
Trypanosoma cruzi PB1 domain containing protein, putative 0.0014 0.009 0.0288
Schistosoma mansoni polycystin 1-related 0.002 0.0335 0.0368
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0019 0.0322 0.0322
Schistosoma mansoni atypical protein kinase C 0.0234 0.9099 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0014 0.009 0.0105
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.3135 1
Echinococcus multilocularis protein TFG 0.0014 0.009 0.0106
Echinococcus granulosus protein TFG 0.0014 0.009 0.0106
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0014 0.009 0.0098
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0335 0.0392
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0014 0.009 0.009
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.3135 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0111 0.4083 1
Brugia malayi Protein kinase domain containing protein 0.0019 0.0322 0.0322
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0335 0.0392
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0088 0.3135 1
Echinococcus multilocularis unc 13 (munc13) 0.0014 0.009 0.0105
Onchocerca volvulus 0.002 0.0335 0.0335
Onchocerca volvulus 0.002 0.0335 0.0335
Onchocerca volvulus 0.0014 0.009 0.009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0256 1 1
Brugia malayi RhoGEF domain containing protein 0.0014 0.009 0.009
Onchocerca volvulus Protein TFG homolog 0.0014 0.009 0.009
Entamoeba histolytica hypothetical protein, conserved 0.0014 0.009 0.009
Entamoeba histolytica hypothetical protein 0.0014 0.009 0.009
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0256 1 0.5
Schistosoma mansoni protein kinase C 0.0014 0.009 0.0098
Brugia malayi fructose-bisphosphate aldolase 2 0.0088 0.3135 0.3135
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0088 0.3135 0.3673
Schistosoma mansoni rac gtpase activating protein 0.0014 0.009 0.0098
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0335 0.0392
Echinococcus multilocularis N chimaerin 0.0014 0.009 0.0105
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.3135 0.3673
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0256 1 1
Echinococcus granulosus raf serine:threonine protein kinase 0.0014 0.009 0.0105
Brugia malayi Pleckstrin Homology Domain 0.0014 0.009 0.009
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0322 0.0354
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Brugia malayi Protein kinase domain containing protein 0.0014 0.0107 0.0107
Echinococcus granulosus Protein kinase C brain isozyme 0.0033 0.0883 0.1035
Brugia malayi hypothetical protein 0.002 0.0335 0.0335
Echinococcus multilocularis myotubularin protein 13 0.0014 0.009 0.0105
Plasmodium falciparum fructose-bisphosphate aldolase 0.0088 0.3135 0.7679
Echinococcus multilocularis partitioning defective protein 6 0.0014 0.009 0.0106
Echinococcus granulosus unc 13 munc13 0.0014 0.009 0.0105
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Loa Loa (eye worm) RasGEF domain-containing protein 0.0014 0.009 0.009
Onchocerca volvulus 0.0256 1 1
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0088 0.3135 0.3673
Plasmodium vivax unspecified product 0.0104 0.3781 0.9259
Brugia malayi Variant SH3 domain containing protein 0.0014 0.009 0.009
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0033 0.0883 0.1035
Echinococcus multilocularis Rac GTPase activating protein 1 0.0014 0.009 0.0105
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.009 0.0098
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0014 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Loa Loa (eye worm) raf kinase 0.0014 0.009 0.009
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.4352 0.5098
Schistosoma mansoni hypothetical protein 0.0014 0.009 0.0098
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Echinococcus multilocularis serine:threonine protein kinase N2 0.0019 0.0322 0.0377
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0014 0.0107 0.0107
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0014 0.009 0.0098
Brugia malayi diacylglycerol kinase 0.0014 0.009 0.009
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0256 1 1
Schistosoma mansoni hypothetical protein 0.002 0.0335 0.0368
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0019 0.0322 0.0322
Echinococcus granulosus Rac GTPase activating protein 1 0.0014 0.009 0.0105
Entamoeba histolytica protein kinase, putative 0.0019 0.0322 0.0322
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Toxoplasma gondii diacylglycerol kinase, putative 0.0014 0.009 0.0286
Plasmodium vivax vivapain-1 0.0111 0.4083 1
Onchocerca volvulus 0.0014 0.009 0.009
Brugia malayi Protein kinase domain containing protein 0.0019 0.0322 0.0322
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0014 0.0107 0.0125
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0322 0.0354
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0256 1 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0033 0.0883 0.0883
Entamoeba histolytica protein kinase, putative 0.0019 0.0322 0.0322
Schistosoma mansoni diacylglycerol kinase theta 0.0014 0.009 0.0098
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Echinococcus granulosus protein kinase C gamma type 0.0019 0.0322 0.0377
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0256 1 0.5
Brugia malayi Ras association domain family 1 isoform A 0.0014 0.009 0.009
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0014 0.0107 0.0125
Echinococcus granulosus serine:threonine protein kinase N2 0.0019 0.0322 0.0377
Schistosoma mansoni unc-13 (munc13) 0.0014 0.009 0.0098
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0883 0.0971
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Echinococcus multilocularis serine threonine protein kinase 0.0019 0.0322 0.0377
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.4352 0.5098
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0088 0.3135 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0019 0.0322 0.0377
Echinococcus granulosus protein kinase c iota type 0.022 0.8537 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0256 1 1
Echinococcus granulosus Diacylglycerol kinase theta 0.0014 0.009 0.0105
Trypanosoma brucei rac serine-threonine kinase, putative 0.0019 0.0322 0.1027
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0335 0.0392
Trypanosoma brucei PB1 domain containing protein, putative 0.0014 0.009 0.0288
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0019 0.0322 0.0377
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0256 1 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0019 0.0322 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0883 0.0971
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0322 0.0354
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0088 0.3135 0.3673
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0019 0.0322 0.0377
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0256 1 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0014 0.009 0.009
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0014 0.009 0.009
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0019 0.0305 0.0305
Brugia malayi Protein kinase c protein 2 0.0014 0.0107 0.0107
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0107 0.0117
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Onchocerca volvulus 0.0014 0.009 0.009
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0088 0.3135 0.7679
Schistosoma mansoni cell polarity protein 0.0014 0.009 0.0099
Schistosoma mansoni protein kinase C mu 0.0014 0.0107 0.0117
Trypanosoma cruzi PB1 domain containing protein, putative 0.0014 0.009 0.0288
Echinococcus multilocularis protein kinase c eta type 0.0014 0.009 0.0105
Echinococcus multilocularis raf serine:threonine protein kinase 0.0014 0.009 0.0105
Schistosoma mansoni loxhd1 0.002 0.0335 0.0368
Leishmania major fructose-1,6-bisphosphate aldolase 0.0088 0.3135 1
Brugia malayi protein kinase C II. 0.0033 0.0883 0.0883
Trichomonas vaginalis AGC family protein kinase 0.0019 0.0322 0.0322
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.0335 0.082
Loa Loa (eye worm) hypothetical protein 0.002 0.0335 0.0335
Echinococcus granulosus NDR protein kinase 0.0019 0.0322 0.0377
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Brugia malayi Partitioning defective-6 homolog alpha 0.0014 0.009 0.009
Echinococcus multilocularis protein kinase c epsilon type 0.0033 0.0883 0.1035
Schistosoma mansoni rab6-interacting 0.002 0.0335 0.0368
Brugia malayi protein kinase C3,putative 0.0201 0.7761 0.7761
Schistosoma mansoni vav2 0.0014 0.009 0.0098
Onchocerca volvulus 0.0014 0.009 0.009
Echinococcus granulosus protein kinase c eta type 0.0014 0.009 0.0105
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0256 1 1
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0215 0.8322 0.8322
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0014 0.009 0.0105
Brugia malayi Doublecortin family protein 0.002 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0014 0.009 0.009
Entamoeba histolytica protein kinase, putative 0.0019 0.0322 0.0322
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0019 0.0322 0.0377
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0335 0.0392
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0088 0.3135 0.3446
Brugia malayi p70 ribosomal S6 kinase beta 0.0019 0.0322 0.0322
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0014 0.009 0.0105
Onchocerca volvulus 0.0014 0.0108 0.0108
Plasmodium falciparum LCCL domain-containing protein 0.002 0.0335 0.082
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0088 0.3135 0.3673

Activities

Activity type Activity value Assay description Source Reference
Control current (functional) = 94.7 % Maxi-K opening activity on cloned human (hSlo) large- conductance (BK) Ca(2+)-activated K+ channel expressed in Xenopus laevis oocytes at concentration of 20 microM ChEMBL. 12668007
Control current (functional) = 94.7 % Maxi-K opening activity on cloned human (hSlo) large- conductance (BK) Ca(2+)-activated K+ channel expressed in Xenopus laevis oocytes at concentration of 20 microM ChEMBL. 12668007
pKa = 9.6 pKa value of the compound was determined ChEMBL. 12668007

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

1 literature reference was collected for this gene.

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