Detailed information for compound 909151

Basic information

Technical information
  • TDR Targets ID: 909151
  • Name: 4-chloro-N-[1-[(4-chlorophenyl)methyl]benzimi dazol-2-yl]benzamide
  • MW: 396.269 | Formula: C21H15Cl2N3O
  • H donors: 1 H acceptors: 2 LogP: 5.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cn1c(NC(=O)c2ccc(cc2)Cl)nc2c1cccc2
  • InChi: 1S/C21H15Cl2N3O/c22-16-9-5-14(6-10-16)13-26-19-4-2-1-3-18(19)24-21(26)25-20(27)15-7-11-17(23)12-8-15/h1-12H,13H2,(H,24,25,27)
  • InChiKey: QDERWBMVBNYATN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[1-[(4-chlorophenyl)methyl]-2-benzimidazolyl]benzamide
  • 4-chloro-N-[1-(4-chlorobenzyl)benzimidazol-2-yl]benzamide
  • Oprea1_546366
  • BIM-0007137.P001
  • CBMicro_007058

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
Plasmodium vivax tubulin gamma chain, putative 0.1358 0.5143 0.5143
Toxoplasma gondii alpha tubulin TUBA1 0.1868 0.725 0.725
Echinococcus multilocularis tubulin alpha chain 0.1868 0.725 0.725
Trypanosoma cruzi tubulin gamma chain 0.1358 0.5143 0.5143
Leishmania major hypothetical protein, conserved 0.013 0.007 0.007
Echinococcus multilocularis beta tubulin 0.2533 1 1
Schistosoma mansoni tubulin subunit epsilon 0.1358 0.5143 0.5143
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0184 0.029 0.029
Echinococcus granulosus Tubulin beta 2C chain 0.2533 1 1
Brugia malayi Tubulin alpha-2 chain 0.1868 0.725 0.725
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1868 0.725 0.6577
Trypanosoma brucei tubulin delta chain 0.059 0.1968 0.1968
Entamoeba histolytica tubulin family protein 0.2533 1 1
Plasmodium vivax tubulin alpha chain, putative 0.1868 0.725 0.725
Loa Loa (eye worm) tubulin alpha chain 0.1868 0.725 0.725
Echinococcus multilocularis tubulin alpha 1C chain 0.1868 0.725 0.725
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.007 0.007
Loa Loa (eye worm) tubulin alpha-3 chain 0.11 0.4075 0.4075
Echinococcus granulosus tubulin subunit TubB 0.1868 0.725 0.725
Trypanosoma brucei PAB1-binding protein , putative 0.013 0.007 0.007
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Echinococcus multilocularis tubulin beta 1 chain 0.2533 1 1
Echinococcus granulosus tubulin subunit beta 0.2533 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.2533 1 1
Brugia malayi Tubulin beta chain 0.059 0.1968 0.1968
Echinococcus multilocularis Tubulin alpha 1 chain 0.1868 0.725 0.725
Trypanosoma cruzi zeta tubulin, putative 0.059 0.1968 0.1968
Echinococcus granulosus tubulin beta 4A class IVa 0.2533 1 1
Leishmania major alpha tubulin 0.1868 0.725 0.725
Leishmania major beta tubulin 0.2533 1 1
Loa Loa (eye worm) hypothetical protein 0.013 0.007 0.007
Trypanosoma cruzi epsilon tubulin, putative 0.1358 0.5143 0.5143
Echinococcus granulosus Tubulin beta 2C chain 0.2533 1 1
Echinococcus multilocularis beta tubulin 0.2533 1 1
Schistosoma mansoni tubulin subunit alpha 0.059 0.1968 0.1968
Echinococcus multilocularis hypothetical protein 0.1868 0.725 0.725
Echinococcus multilocularis Tubulin beta 2C chain 0.2533 1 1
Brugia malayi hypothetical protein 0.013 0.007 0.007
Trichomonas vaginalis tubulin, putative 0.0768 0.2706 0.092
Echinococcus granulosus tubulin alpha chain 0.1868 0.725 0.725
Schistosoma mansoni hypothetical protein 0.0184 0.029 0.029
Schistosoma mansoni tubulin subunit alpha 0.1868 0.725 0.725
Leishmania major beta tubulin 0.2533 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0618 0.2084 0.2084
Trypanosoma brucei epsilon tubulin 0.1358 0.5143 0.5143
Brugia malayi beta-tubulin, identical 0.2533 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.1868 0.725 0.725
Echinococcus multilocularis Tubulin beta 2C chain 0.2533 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.2533 1 1
Loa Loa (eye worm) tubulin beta-2A chain 0.2533 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0768 0.2706 0.092
Schistosoma mansoni alpha tubulin 0.1868 0.725 0.725
Trypanosoma brucei beta tubulin 0.2533 1 1
Leishmania major epsilon tubulin, putative 0.1358 0.5143 0.5143
Leishmania major alpha tubulin 0.1868 0.725 0.725
Mycobacterium ulcerans cell division protein FtsZ 0.059 0.1968 0.5
Loa Loa (eye worm) tubulin beta-1 chain 0.2533 1 1
Trypanosoma brucei epsilon tubulin 0.1358 0.5143 0.5143
Trichomonas vaginalis tubulin epsilon chain, putative 0.1868 0.725 0.6577
Brugia malayi alpha-tubulin 0.1868 0.725 0.725
Trichomonas vaginalis tubulin alpha chain, putative 0.0768 0.2706 0.092
Trichomonas vaginalis tubulin gamma chain, putative 0.1358 0.5143 0.3953
Echinococcus granulosus Tubulin alpha 1 chain 0.1868 0.725 0.725
Trichomonas vaginalis tubulin epsilon chain, putative 0.1868 0.725 0.6577
Echinococcus multilocularis tubulin alpha chain 0.1868 0.725 0.725
Trypanosoma brucei alpha tubulin 0.1868 0.725 0.725
Echinococcus granulosus beta tubulin 0.2533 1 1
Echinococcus multilocularis geminin 0.1217 0.456 0.456
Loa Loa (eye worm) tubulin beta chain 0.2533 1 1
Schistosoma mansoni tubulin subunit beta 0.059 0.1968 0.1968
Trypanosoma cruzi tubulin delta chain 0.059 0.1968 0.1968
Trypanosoma brucei tubulin gamma chain 0.1358 0.5143 0.5143
Loa Loa (eye worm) hypothetical protein 0.1868 0.725 0.725
Leishmania major alpha tubulin 0.1868 0.725 0.725
Leishmania major alpha tubulin 0.1868 0.725 0.725
Schistosoma mansoni transcription factor LCR-F1 0.0184 0.029 0.029
Leishmania major beta tubulin 0.2533 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0768 0.2706 0.092
Echinococcus multilocularis tubulin alpha 3 chain 0.1868 0.725 0.725
Loa Loa (eye worm) hypothetical protein 0.016 0.0194 0.0194
Loa Loa (eye worm) tubulin alpha 2 0.051 0.1639 0.1639
Loa Loa (eye worm) BEN-1 protein 0.2533 1 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0493 0.1569 0.1569
Treponema pallidum cell division protein FtsZ 0.059 0.1968 0.5
Echinococcus granulosus tubulin epsilon chain 0.1358 0.5143 0.5143
Echinococcus granulosus tubulin gamma 1 chain 0.1358 0.5143 0.5143
Schistosoma mansoni tubulin subunit beta 0.2533 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.013 0.007 0.007
Echinococcus granulosus tubulin alpha chain 0.1868 0.725 0.725
Plasmodium falciparum tubulin epsilon chain, putative 0.1358 0.5143 0.5143
Echinococcus granulosus tubulin beta 1 chain 0.2533 1 1
Echinococcus multilocularis tubulin alpha chain 0.1868 0.725 0.725
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.007 0.007
Giardia lamblia Gamma tubulin 0.1358 0.5143 0.3953
Leishmania major alpha tubulin 0.1868 0.725 0.725
Leishmania major beta tubulin 0.2533 1 1
Echinococcus multilocularis tubulin, beta 4A class IVa 0.2533 1 1
Plasmodium vivax tubulin beta chain, putative 0.2533 1 1
Trypanosoma brucei alpha tubulin 0.1868 0.725 0.725
Entamoeba histolytica tubulin family protein 0.2533 1 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.059 0.1968 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Leishmania major delta tubulin, putative 0.059 0.1968 0.1968
Echinococcus multilocularis Tubulin alpha 1 chain 0.1868 0.725 0.725
Toxoplasma gondii alpha-tubulin I, putative 0.1868 0.725 0.725
Echinococcus granulosus tubulin alpha 3 chain 0.1868 0.725 0.725
Echinococcus granulosus Tubulin alpha 1 chain 0.1868 0.725 0.725
Loa Loa (eye worm) BEN-1 protein 0.2533 1 1
Schistosoma mansoni tubulin subunit beta 0.2533 1 1
Giardia lamblia Alpha-tubulin 0.1868 0.725 0.6577
Trypanosoma brucei alpha tubulin 0.1868 0.725 0.725
Brugia malayi Tubulin gamma chain 0.1358 0.5143 0.5143
Echinococcus multilocularis tubulin epsilon chain 0.1358 0.5143 0.5143
Plasmodium falciparum tubulin gamma chain 0.1358 0.5143 0.5143
Echinococcus granulosus tubulin alpha 0.1358 0.5143 0.5143
Echinococcus granulosus tubulin alpha chain 0.1868 0.725 0.725
Leishmania major gamma-tubulin 0.1358 0.5143 0.5143
Trypanosoma brucei beta tubulin 0.2533 1 1
Echinococcus multilocularis tubulin alpha 0.1358 0.5143 0.5143
Trichomonas vaginalis tubulin epsilon chain, putative 0.2533 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.1358 0.5143 0.5143
Leishmania major alpha tubulin 0.1868 0.725 0.725
Loa Loa (eye worm) tubulin gamma chain 0.1358 0.5143 0.5143
Brugia malayi Cell division protein ftsZ 0.059 0.1968 0.1968
Giardia lamblia Beta tubulin 0.2533 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.1868 0.725 0.725
Echinococcus granulosus geminin 0.1217 0.456 0.456
Trypanosoma brucei epsilon tubulin 0.1358 0.5143 0.5143
Schistosoma mansoni tubulin subunit beta 0.2533 1 1
Schistosoma mansoni tubulin subunit beta 0.2533 1 1
Leishmania major beta tubulin 0.2533 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.1278 0.4814 0.4814
Loa Loa (eye worm) tubulin alpha 2 0.1278 0.4814 0.4814
Leishmania major alpha tubulin 0.1868 0.725 0.725
Trichomonas vaginalis tubulin, putative 0.2533 1 1
Schistosoma mansoni tubulin subunit delta 0.059 0.1968 0.1968
Leishmania major beta tubulin 0.2533 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0768 0.2706 0.092
Leishmania major beta tubulin 0.2533 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.1868 0.725 0.725
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Plasmodium falciparum ataxin-2 like protein, putative 0.013 0.007 0.007
Trichomonas vaginalis tubulin gamma chain, putative 0.1358 0.5143 0.3953
Plasmodium falciparum alpha tubulin 2 0.1868 0.725 0.725
Loa Loa (eye worm) tubulin alpha chain 0.1868 0.725 0.725
Loa Loa (eye worm) alpha-tubulin 0.1868 0.725 0.725
Brugia malayi MH2 domain containing protein 0.0618 0.2084 0.2084
Brugia malayi Tubulin alpha-2 chain 0.1868 0.725 0.725
Plasmodium falciparum tubulin delta chain, putative 0.059 0.1968 0.1968
Echinococcus multilocularis tubulin subunit TubB 0.1868 0.725 0.725
Echinococcus granulosus peroxisome assembly protein 26 0.1868 0.725 0.725
Brugia malayi hypothetical protein 0.016 0.0194 0.0194
Echinococcus granulosus alpha tubulin 0.1868 0.725 0.725
Brugia malayi tubulin alpha-2 chain 0.1868 0.725 0.725
Echinococcus multilocularis peroxisome assembly protein 26 0.1868 0.725 0.725
Echinococcus multilocularis Tubulin beta 2C chain 0.2533 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.1358 0.5143 0.5143
Echinococcus multilocularis Tubulin beta 2C chain 0.2533 1 1
Echinococcus multilocularis tubulin alpha chain 0.1868 0.725 0.725
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Leishmania major beta tubulin 0.2533 1 1
Trypanosoma brucei zeta tubulin 0.059 0.1968 0.1968
Schistosoma mansoni tubulin subunit beta 0.2533 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0184 0.029 0.029
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.059 0.1968 0.1968
Loa Loa (eye worm) beta-tubulin 0.2533 1 1
Giardia lamblia Beta tubulin 0.2533 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.2533 1 1
Schistosoma mansoni alpha tubulin 0.1868 0.725 0.725
Schistosoma mansoni alpha tubulin 0.1868 0.725 0.725
Schistosoma mansoni tubulin subunit alpha 0.1868 0.725 0.725
Onchocerca volvulus 0.0768 0.2706 1
Schistosoma mansoni tubulin subunit gamma 0.1358 0.5143 0.5143
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.1278 0.4814 0.3543
Leishmania major alpha tubulin 0.1868 0.725 0.725
Trypanosoma cruzi zeta tubulin, putative 0.059 0.1968 0.1968
Echinococcus granulosus Tubulin beta 2C chain 0.2533 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.059 0.1968 0.1968
Trypanosoma cruzi PAB1-binding protein , putative 0.013 0.007 0.007
Leishmania major alpha tubulin 0.1868 0.725 0.725
Loa Loa (eye worm) MH2 domain-containing protein 0.0618 0.2084 0.2084
Echinococcus multilocularis tubulin alpha 3 chain 0.1868 0.725 0.725
Giardia lamblia Beta tubulin 0.2533 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.1868 0.725 0.725
Leishmania major alpha tubulin 0.1868 0.725 0.725
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.11 0.4075 0.2624
Leishmania major beta tubulin 0.2533 1 1
Toxoplasma gondii beta-1 tubulin, putative 0.2533 1 1
Leishmania major beta tubulin 0.2533 1 1
Leishmania major beta tubulin 0.2533 1 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.059 0.1968 1
Trypanosoma cruzi beta tubulin, putative 0.2533 1 1
Echinococcus granulosus tubulin alpha chain 0.1868 0.725 0.725
Trypanosoma brucei alpha tubulin, putative 0.0768 0.2706 0.2706
Plasmodium falciparum tubulin beta chain 0.2533 1 1
Trypanosoma brucei beta tubulin 0.2533 1 1
Brugia malayi Tubulin alpha chain 0.1868 0.725 0.725
Trichomonas vaginalis tubulin beta chain, putative 0.0768 0.2706 0.092
Entamoeba histolytica tubulin gamma chain 0.1358 0.5143 0.4998
Leishmania major zeta tubulin, putative 0.059 0.1968 0.1968
Leishmania major beta tubulin 0.2533 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.1868 0.725 0.725
Mycobacterium leprae cell division protein FtsZ 0.059 0.1968 0.5
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.1358 0.5143 0.5143
Toxoplasma gondii beta tubulin 0.2533 1 1
Plasmodium vivax tubulin alpha chain, putative 0.1868 0.725 0.725
Echinococcus granulosus tubulin delta chain 0.059 0.1968 0.1968
Leishmania major beta tubulin 0.2533 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.1868 0.725 0.7168
Echinococcus granulosus tubulin alpha chain 0.1868 0.725 0.725
Schistosoma mansoni tubulin subunit alpha 0.1868 0.725 0.725
Brugia malayi Tubulin alpha chain 0.059 0.1968 0.1968
Echinococcus granulosus Tubulin beta 2C chain 0.2533 1 1
Echinococcus multilocularis tubulin alpha chain 0.1868 0.725 0.725
Leishmania major beta tubulin 0.2533 1 1
Trypanosoma cruzi tubulin delta chain 0.059 0.1968 0.1968
Echinococcus multilocularis Tubulin alpha 1 chain 0.1868 0.725 0.725
Trypanosoma brucei zeta tubulin, putative 0.059 0.1968 0.1968
Schistosoma mansoni hypothetical protein 0.1217 0.456 0.456
Leishmania major alpha tubulin 0.1868 0.725 0.725
Entamoeba histolytica tubulin alpha-1 chain 0.1868 0.725 0.7168
Trypanosoma brucei alpha tubulin 0.1868 0.725 0.725
Onchocerca volvulus 0.0493 0.1569 0.5472
Trichomonas vaginalis tubulin beta chain, putative 0.1868 0.725 0.6577
Trichomonas vaginalis tubulin, putative 0.0768 0.2706 0.092
Trypanosoma brucei beta tubulin 0.2533 1 1
Trypanosoma cruzi epsilon tubulin, putative 0.1358 0.5143 0.5143
Loa Loa (eye worm) hypothetical protein 0.11 0.4075 0.4075
Echinococcus multilocularis tubulin subunit beta 0.2533 1 1
Echinococcus granulosus beta tubulin 0.2533 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.2533 1 1
Leishmania major beta tubulin 0.2533 1 1
Brugia malayi Tubulin beta chain 0.0768 0.2706 0.2706
Echinococcus multilocularis tubulin delta chain 0.059 0.1968 0.1968
Leishmania major beta tubulin 0.2533 1 1
Trypanosoma cruzi alpha tubulin, putative 0.1868 0.725 0.725
Brugia malayi tubulin alpha chain - mouse 0.1868 0.725 0.725
Toxoplasma gondii beta-tubulin, putative 0.2533 1 1
Trypanosoma brucei beta tubulin 0.1358 0.5143 0.5143
Loa Loa (eye worm) tubulin beta-4 chain 0.2533 1 1
Leishmania major beta tubulin 0.2533 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.1868 0.725 0.725
Brugia malayi Pax transcription factor protein 2 0.0493 0.1569 0.1569
Leishmania major alpha tubulin 0.1868 0.725 0.725
Leishmania major beta tubulin 0.2533 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.2533 1 1
Schistosoma mansoni hypothetical protein 0.1217 0.456 0.456
Loa Loa (eye worm) alpha-tubulin 0.1868 0.725 0.725
Loa Loa (eye worm) tubulin beta chain 0.059 0.1968 0.1968
Plasmodium falciparum alpha tubulin 1 0.1868 0.725 0.725
Giardia lamblia Alpha-tubulin 0.1868 0.725 0.6577
Brugia malayi hypothetical protein 0.0184 0.029 0.029
Echinococcus multilocularis Tubulin beta 2C chain 0.2533 1 1
Plasmodium vivax delta tubulin, putative 0.059 0.1968 0.1968
Plasmodium vivax ataxin-2 like protein, putative 0.013 0.007 0.007
Trichomonas vaginalis tubulin alpha chain, putative 0.1358 0.5143 0.3953
Loa Loa (eye worm) hypothetical protein 0.1278 0.4814 0.4814
Loa Loa (eye worm) tubulin alpha 2 0.1278 0.4814 0.4814
Schistosoma mansoni tubulin subunit beta 0.2533 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1848, AID1849, AID1852, AID2469, AID2475, AID2799, AID2800] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1575, AID1578, AID2335, AID2466, AID2469, AID2505, AID2798, AID2800] ChEMBL. No reference
IC50 (functional) > 20 uM PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction revised. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1852, AID2469, AID2483, AID2485, AID2800, AID2801] 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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