Detailed information for compound 666163

Basic information

Technical information
  • TDR Targets ID: 666163
  • Name: 2,2,2-trichloro-N-(2-phenylphenyl)acetamide
  • MW: 314.594 | Formula: C14H10Cl3NO
  • H donors: 1 H acceptors: 1 LogP: 4.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Cl)(Cl)Cl)Nc1ccccc1c1ccccc1
  • InChi: 1S/C14H10Cl3NO/c15-14(16,17)13(19)18-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,18,19)
  • InChiKey: UJEGBXZPEHISLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2,2-trichloro-N-(2-phenylphenyl)ethanamide
  • ZINC00458038

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 histone deacetylase, putative 0.00904027 0.238845 0.981458
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0152041 0.446632 1
Onchocerca volvulus 0.00390008 0.0655657 0.117507
Trichomonas vaginalis histone deacetylase, putative 0.00904027 0.238845 0.981458
Echinococcus multilocularis histone deacetylase 1 0.00904027 0.238845 0.428058
Brugia malayi Carboxylesterase family protein 0.0096343 0.25887 0.25887
Echinococcus granulosus rho-associated protein kinase 1 0.00948335 0.253781 0.454828
Brugia malayi prolyl oligopeptidase family protein 0.0185069 0.557973 0.557973
Plasmodium vivax histone deacetylase, putative 0.00257889 0.0210273 0.0880374
Plasmodium vivax histone deacetylase 2, putative 0.00257889 0.0210273 0.0880374
Echinococcus granulosus acetylcholinesterase 0.0096343 0.25887 0.463948
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0185069 0.557973 1
Toxoplasma gondii histone deacetylase HDAC3 0.00904027 0.238845 0.980967
Echinococcus multilocularis histone deacetylase 6 0.00257889 0.0210273 0.0376851
Loa Loa (eye worm) dolichyl-di-phosphooligosaccharide-protein glycotransferase 0.00453421 0.0869427 0.0869427
Trypanosoma cruzi histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.00904027 0.238845 0.981458
Schistosoma mansoni histone deacetylase 0.00904027 0.238845 0.426713
Toxoplasma gondii histone deacetylase HDAC2 0.00904027 0.238845 0.980967
Echinococcus multilocularis sodium channel protein 0.00214315 0.00633846 0.0113598
Echinococcus granulosus histone deacetylase 0.00257889 0.0210273 0.0376851
Trypanosoma cruzi histone deacetylase 1, putative 0.00904027 0.238845 0.534769
Brugia malayi histone deacetylase 3 (HD3) 0.00904027 0.238845 0.238845
Toxoplasma gondii dolichyl-diphosphooligosaccharide--protein glycosyltransferase 0.00453421 0.0869427 0.357085
Schistosoma mansoni inhibitor of apoptosis protein 0.00390008 0.0655657 0.117138
Brugia malayi Cation transporter family protein 0.00663952 0.157914 0.157914
Trypanosoma brucei histone deacetylase 4 0.00257889 0.0210273 0.0470797
Echinococcus granulosus acetylcholinesterase 0.0096343 0.25887 0.463948
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.00214315 0.00633846 0.0113598
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0152041 0.446632 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0152041 0.446632 0.800454
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.00390008 0.0655657 0.0655657
Giardia lamblia Histone deacetylase 0.00904027 0.238845 1
Toxoplasma gondii histone deacetylase HDAC4 0.00257889 0.0210273 0.0863618
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0112838 0.314475 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.00663952 0.157914 0.282125
Brugia malayi Carboxylesterase family protein 0.0096343 0.25887 0.25887
Plasmodium falciparum dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.00453421 0.0869427 0.364013
Echinococcus granulosus histone deacetylase 6 0.00257889 0.0210273 0.0376851
Loa Loa (eye worm) hypothetical protein 0.00663952 0.157914 0.157914
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.00390008 0.0655657 0.0655657
Plasmodium falciparum histone deacetylase 1 0.00904027 0.238845 1
Trypanosoma cruzi histone deacetylase 1, putative 0.00904027 0.238845 0.534769
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0185069 0.557973 1
Schistosoma mansoni histone deacetylase 4 5 0.00257889 0.0210273 0.0375668
Trypanosoma brucei histone deacetylase 1 0.00904027 0.238845 0.534769
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.00208881 0.00450642 0.0188676
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.00195513 0 0.5
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0152041 0.446632 0.79794
Mycobacterium ulcerans epoxide hydrolase EphA 0.0112838 0.314475 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0152041 0.446632 0.800454
Echinococcus multilocularis histone deacetylase 7 0.00257889 0.0210273 0.0376851
Loa Loa (eye worm) hypothetical protein 0.0096343 0.25887 0.25887
Schistosoma mansoni amine GPCR 0.0185591 0.559731 1
Loa Loa (eye worm) hypothetical protein 0.0096343 0.25887 0.25887
Leishmania major histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Loa Loa (eye worm) histone deacetylase 3 0.00904027 0.238845 0.238845
Loa Loa (eye worm) hypothetical protein 0.00904027 0.238845 0.238845
Trypanosoma cruzi histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Echinococcus granulosus histone deacetylase 3 0.00904027 0.238845 0.428058
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.00917774 0.243479 1
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.00453421 0.0869427 0.364013
Trichomonas vaginalis histone deacetylase, putative 0.00904027 0.238845 0.981458
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0152041 0.446632 1
Echinococcus multilocularis histone deacetylase 6 0.00257889 0.0210273 0.0376851
Trypanosoma cruzi histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Loa Loa (eye worm) hypothetical protein 0.00390008 0.0655657 0.0655657
Echinococcus multilocularis histone deacetylase 8 0.00257889 0.0210273 0.0376851
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0152041 0.446632 1
Trichomonas vaginalis histone deacetylase, putative 0.00904027 0.238845 0.981458
Echinococcus granulosus histone deacetylase 6 0.00257889 0.0210273 0.0376851
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.00390008 0.0655657 0.117507
Brugia malayi histone deacetylase 1 (HD1) 0.00904027 0.238845 0.238845
Loa Loa (eye worm) hypothetical protein 0.00955419 0.25617 0.25617
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0185069 0.557973 0.996859
Echinococcus multilocularis inhibitor of apoptosis protein 0.00390008 0.0655657 0.117507
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.00904027 0.238845 0.981458
Schistosoma mansoni histone deacetylase hda2 0.00257889 0.0210273 0.0375668
Plasmodium falciparum histone deacetylase 2 0.00257889 0.0210273 0.0880374
Brugia malayi Protein kinase domain containing protein 0.0316193 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0096343 0.25887 0.46249
Echinococcus granulosus histone deacetylase 6 0.00257889 0.0210273 0.0376851
Echinococcus granulosus sodium channel protein 0.00214315 0.00633846 0.0113598
Onchocerca volvulus 0.00948335 0.253781 0.454828
Schistosoma mansoni histone deacetylase hda2 0.00257889 0.0210273 0.0375668
Toxoplasma gondii histone deacetylase HDAC5 0.00257889 0.0210273 0.0863618
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.00904027 0.238845 0.981458
Brugia malayi Histone deacetylase 1 0.00904027 0.238845 0.238845
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.00663952 0.157914 0.282125
Trypanosoma cruzi histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Schistosoma mansoni histone deacetylase 0.00904027 0.238845 0.426713
Leishmania major calcium channel protein, putative,ion transporter, putative 0.00214315 0.00633846 0.0141917
Schistosoma mansoni hypothetical protein 0.00390008 0.0655657 0.117138
Toxoplasma gondii histone deacetylase HDAC1 0.00257889 0.0210273 0.0863618
Brugia malayi prolyl oligopeptidase family protein 0.0152041 0.446632 0.446632
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0316193 1 1
Loa Loa (eye worm) hypothetical protein 0.00798149 0.203153 0.203153
Loa Loa (eye worm) acetylcholinesterase 1 0.0096343 0.25887 0.25887
Schistosoma mansoni serine/threonine protein kinase 0.00948335 0.253781 0.453399
Plasmodium vivax dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.00453421 0.0869427 0.364013
Loa Loa (eye worm) hypothetical protein 0.00257889 0.0210273 0.0210273
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.00955419 0.25617 0.25617
Echinococcus multilocularis dolichyl diphosphooligosaccharide protein 0.00453421 0.0869427 0.155819
Echinococcus granulosus inhibitor of apoptosis protein 0.00390008 0.0655657 0.117507
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.00390008 0.0655657 0.117138
Loa Loa (eye worm) histone deacetylase 0.00257889 0.0210273 0.0210273
Brugia malayi Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDasubunit precursor 0.00453421 0.0869427 0.0869427
Echinococcus multilocularis histone deacetylase 6 0.00257889 0.0210273 0.0376851
Loa Loa (eye worm) hypothetical protein 0.00722261 0.17757 0.17757
Loa Loa (eye worm) prolyl oligopeptidase 0.0185069 0.557973 0.557973
Echinococcus multilocularis acetylcholinesterase 0.0096343 0.25887 0.463948
Trichomonas vaginalis dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.00453421 0.0869427 0.357264
Echinococcus granulosus histone deacetylase 7 0.00257889 0.0210273 0.0376851
Echinococcus granulosus histone deacetylase 8 0.00257889 0.0210273 0.0376851
Onchocerca volvulus 0.00663952 0.157914 0.283014
Schistosoma mansoni histone deacetylase 1 2 3 0.00257889 0.0210273 0.0375668
Leishmania major histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Loa Loa (eye worm) hypothetical protein 0.00618085 0.142452 0.142452
Echinococcus granulosus carboxylesterase 5A 0.0096343 0.25887 0.463948
Trypanosoma brucei histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Plasmodium vivax histone deacetylase 1, putative 0.00904027 0.238845 1
Echinococcus multilocularis acetylcholinesterase 0.0096343 0.25887 0.463948
Echinococcus granulosus baculoviral IAP repeat containing protein 0.00390008 0.0655657 0.117507
Plasmodium falciparum histone deacetylase, putative 0.00257889 0.0210273 0.0880374
Loa Loa (eye worm) hypothetical protein 0.00390008 0.0655657 0.0655657
Loa Loa (eye worm) histone deacetylase 11 0.00257889 0.0210273 0.0210273
Echinococcus multilocularis carboxylesterase 5A 0.0096343 0.25887 0.463948
Entamoeba histolytica dolichyl-di-phosphooligosaccharide-protein glycotransferase, putative 0.00453421 0.0869427 0.364013
Onchocerca volvulus 0.00945977 0.252986 0.453403
Trypanosoma brucei histone deacetylase 2 0.00257889 0.0210273 0.0470797
Echinococcus granulosus histone deacetylase 1 0.00904027 0.238845 0.428058
Schistosoma mansoni dolichyl-diphosphooligosaccharide-protein glycosyltransferase 0.00453421 0.0869427 0.155329
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.00215741 0.006819 0.0280205
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0185069 0.557973 1
Loa Loa (eye worm) histone deacetylase 7A 0.00257889 0.0210273 0.0210273
Onchocerca volvulus Histone deacetylase 10 homolog 0.00257889 0.0210273 0.0376851
Trichomonas vaginalis histone deacetylase, putative 0.00904027 0.238845 0.981458
Plasmodium vivax histone deacetylase, putative 0.00257889 0.0210273 0.0880374
Leishmania major histone deacetylase, putative 0.00904027 0.238845 0.534769
Loa Loa (eye worm) carboxylesterase 0.0096343 0.25887 0.25887
Trypanosoma brucei histone deacetylase 3 0.00257889 0.0210273 0.0470797
Trichomonas vaginalis conserved hypothetical protein 0.00917412 0.243357 1
Leishmania major histone deacetylase, putative 0.00904027 0.238845 0.534769
Schistosoma mansoni histone deacetylase 4 5 0.00257889 0.0210273 0.0375668
Trypanosoma cruzi histone deacetylase, putative 0.00257889 0.0210273 0.0470797
Echinococcus multilocularis rho associated protein kinase 0.00948335 0.253781 0.454828
Brugia malayi Histone deacetylase family protein 0.00257889 0.0210273 0.0210273
Brugia malayi Histone deacetylase family protein 0.00257889 0.0210273 0.0210273
Echinococcus multilocularis histone deacetylase 3 0.00904027 0.238845 0.428058
Echinococcus multilocularis histone deacetylase 0.00257889 0.0210273 0.0376851
Entamoeba histolytica histone deacetylase, putative 0.00904027 0.238845 1
Brugia malayi hypothetical protein 0.00722261 0.17757 0.17757
Echinococcus granulosus dolichyl diphosphooligosaccharide protein 0.00453421 0.0869427 0.155819
Loa Loa (eye worm) hypothetical protein 0.00663952 0.157914 0.157914
Loa Loa (eye worm) histone deacetylase 1 0.00904027 0.238845 0.238845
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0152041 0.446632 1
Onchocerca volvulus 0.00663952 0.157914 0.283014
Brugia malayi histone deacetylase 11 0.00257889 0.0210273 0.0210273
Onchocerca volvulus Deterin homolog 0.00390008 0.0655657 0.117507
Trichomonas vaginalis histone deacetylase, putative 0.00904027 0.238845 0.981458
Onchocerca volvulus 0.00663952 0.157914 0.283014

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.1484 uM ST_JUDE: Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
EC50 (functional) = 1.15 uM Plasmodium falciparum K1 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) = 1.56 uM Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye Saint Jude. 20485428
EC50 (functional) 1.5607 uM ST_JUDE: Plasmodium falciparum 3D7 EC50 (uM) as measured by SYBR green dye ChEMBL. 20485428
Percent growth inhibition (functional) = 87.6 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by YOYO-3 red dye Saint Jude. 20485428
Percent growth inhibition (functional) = 107.9 % Plasmodium falciparum 3D7 % growth inhibition at 7uM as measured by SYBR green dye Saint Jude. 20485428

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 20485428

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.