Detailed information for compound 1571947

Basic information

Technical information
  • TDR Targets ID: 1571947
  • Name: N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol- 2-yl]propyl]furan-2-carboxamide
  • MW: 393.866 | Formula: C22H20ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1Cn1c(CCCNC(=O)c2ccco2)nc2c1cccc2
  • InChi: 1S/C22H20ClN3O2/c23-17-8-2-1-7-16(17)15-26-19-10-4-3-9-18(19)25-21(26)12-5-13-24-22(27)20-11-6-14-28-20/h1-4,6-11,14H,5,12-13,15H2,(H,24,27)
  • InChiKey: LKQCGICAJXGCAQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[1-[(2-chlorophenyl)methyl]-2-benzimidazolyl]propyl]-2-furancarboxamide
  • N-[3-[1-(2-chlorobenzyl)benzimidazol-2-yl]propyl]-2-furamide
  • NCGC00115334-01
  • T5458153
  • BAS 13174973
  • D078-0080

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus GTPase activating Rap:RanGAP domain 3 0.0105 0.2743 0.2757
Loa Loa (eye worm) hypothetical protein 0.0105 0.2743 0.2757
Giardia lamblia Kinase, CMGC CLK 0.0065 0.1574 0.5
Brugia malayi Protein kinase domain containing protein 0.0107 0.2794 0.2794
Echinococcus multilocularis 0.0252 0.6974 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.1574 0.5413
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0107 0.2794 0.4007
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0107 0.2794 0.4007
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.1574 0.5413
Trypanosoma brucei kinetoplastid kinetochore protein 10 0.0065 0.1574 0.5413
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0105 0.2743 0.2743
Loa Loa (eye worm) hypothetical protein 0.0105 0.2743 0.2757
Brugia malayi hypothetical protein 0.0105 0.2743 0.2743
Trypanosoma brucei Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0105 0.2743 1
Brugia malayi Protein kinase domain containing protein 0.0065 0.1574 0.1574
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.1574 0.1574
Schistosoma mansoni protein kinase 0.0107 0.2794 0.2794
Brugia malayi Cytochrome P450 family protein 0.0017 0.0194 0.0194
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0017 0.0194 0.5
Plasmodium vivax serine/threonine kinase-1, putative 0.0065 0.1574 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0065 0.1574 0.5
Plasmodium falciparum protein serine/threonine kinase-1 0.0065 0.1574 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.2794 0.2794
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0194 0.0195
Echinococcus granulosus hypothetical protein 0.0063 0.1523 0.1531
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0107 0.2794 0.4007
Schistosoma mansoni serine/threonine protein kinase 0.0065 0.1574 0.1574
Loa Loa (eye worm) STE/STE20/MSN protein kinase 0.0252 0.6974 0.701
Echinococcus multilocularis GTPase activating Rap:RanGAP domain 3 0.0105 0.2743 0.3934
Schistosoma mansoni protein kinase 0.0252 0.6974 0.6974
Leishmania major protein kinase, putative 0.0065 0.1574 1
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0065 0.1574 0.5
Brugia malayi Temporarily assigned gene name protein 59 0.0105 0.2743 0.2743
Echinococcus granulosus protein kinase 0.0252 0.6974 0.701
Schistosoma mansoni hypothetical protein 0.0105 0.2743 0.2743
Schistosoma mansoni protein kinase 0.0358 1 1
Echinococcus granulosus dual specificity protein kinase clk2 0.0065 0.1574 0.1582
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0065 0.1574 0.5413
Echinococcus multilocularis dual specificity protein kinase clk2 0.0065 0.1574 0.2257
Echinococcus granulosus serine:threonine protein kinase mig 15 0.0356 0.9949 1
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0065 0.1574 0.5413
Brugia malayi MH2 domain containing protein 0.0144 0.3862 0.3862
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0107 0.2794 0.2809
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3862 0.3882
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0105 0.2743 1
Leishmania major protein kinase, putative 0.0065 0.1574 1
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0107 0.2794 0.2809
Schistosoma mansoni mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3 0.0105 0.2743 0.2743
Loa Loa (eye worm) STE/STE20/KHS protein kinase 0.0107 0.2794 0.2809
Schistosoma mansoni rap gtpase-activating protein 0.0105 0.2743 0.2743
Echinococcus multilocularis 0.0063 0.1523 0.2184
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0194 0.0195
Schistosoma mansoni serine/threonine protein kinase 0.0107 0.2794 0.2794
Onchocerca volvulus 0.0105 0.2743 0.5
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0065 0.1574 0.1582
Brugia malayi Cytochrome P450 family protein 0.0017 0.0194 0.0194
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3862 0.3882
Echinococcus granulosus Vam6:Vps39 protein 0.0105 0.2743 0.2757
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0107 0.2794 0.2809
Schistosoma mansoni vam6/vps39 related 0.0105 0.2743 0.2743
Trypanosoma cruzi Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative 0.0105 0.2743 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0065 0.1574 0.5413
Loa Loa (eye worm) hypothetical protein 0.0356 0.9949 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1523 0.1531
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0194 0.0195
Loa Loa (eye worm) hypothetical protein 0.0105 0.2743 0.2757

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) 10 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.
 
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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