Detailed information for compound 1712084

Basic information

Technical information
  • TDR Targets ID: 1712084
  • Name: N'-(1-methylbenzimidazol-2-yl)benzenecarboxim idamide
  • MW: 250.298 | Formula: C15H14N4
  • H donors: 1 H acceptors: 1 LogP: 2.7 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N=C(c1ccccc1)Nc1nc2c(n1C)cccc2
  • InChi: 1S/C15H14N4/c1-19-13-10-6-5-9-12(13)17-15(19)18-14(16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,16,17,18)
  • InChiKey: OAXYRJCSMOWZSN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(1-methylbenzimidazol-2-yl)benzamidine
  • N'-(1-methyl-2-benzimidazolyl)benzamidine
  • IDI1_002471
  • ChemDiv2_003756
  • BAS 01843269
  • N-(1-Methyl-1H-benzoimidazol-2-yl)-benzamidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1006 0.0718
Loa Loa (eye worm) hypothetical protein 0.0082 0.2104 0.2104
Mycobacterium tuberculosis Possible chitinase 0.0149 0.48 0.5
Plasmodium falciparum conserved protein, unknown function 0.0277 1 1
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.2104 0.2104
Onchocerca volvulus 0.0277 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Brugia malayi endochitinase 0.0174 0.5842 0.5842
Onchocerca volvulus Putative endochitinase 0.0196 0.6695 0.2052
Brugia malayi hypothetical protein 0.0043 0.0528 0.0528
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.3649 0.3649
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0277 1 1
Onchocerca volvulus Putative endochitinase 0.0196 0.6695 0.2052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.3649 0.3649
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0528 0.0224
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1006 0.1006
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1006 0.1006
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1006 0.0718
Onchocerca volvulus 0.0277 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.0311 0.0311
Schistosoma mansoni hypothetical protein 0.0082 0.2104 0.1851
Loa Loa (eye worm) hypothetical protein 0.012 0.3649 0.3649
Mycobacterium ulcerans chitinase/cellulase 0.0149 0.48 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.48 0.48
Loa Loa (eye worm) hypothetical protein 0.0277 1 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0277 1 1
Brugia malayi endochitinase 0.0196 0.6695 0.6695
Onchocerca volvulus Putative endochitinase 0.0196 0.6695 0.2052
Loa Loa (eye worm) chitinase I 0.0174 0.5842 0.5842
Schistosoma mansoni hypothetical protein 0.0043 0.0528 0.0224
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1006 0.0718
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0528 0.0224
Leishmania major chitinase 0.0174 0.5842 1
Brugia malayi Latrophilin receptor protein 2 0.0038 0.0311 0.0311
Toxoplasma gondii hypothetical protein 0.0277 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1006 0.0718
Loa Loa (eye worm) hypothetical protein 0.0038 0.0311 0.0311
Loa Loa (eye worm) microfilarial chitinase 0.017 0.5653 0.5653
Trypanosoma brucei PAB1-binding protein , putative 0.003 0 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.0311 0.0311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1006 0.0718
Entamoeba histolytica chitinase, putative 0.0174 0.5842 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0528 0.0224
Mycobacterium ulcerans chitinase/cellulase 0.0149 0.48 0.5
Loa Loa (eye worm) cuticular endochitinase 0.0174 0.5842 0.5842
Brugia malayi Endochitinase 0.0196 0.6695 0.6695
Schistosoma mansoni hypothetical protein 0.0277 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1006 0.0718
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1006 0.0718
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.3649 0.3649
Plasmodium vivax hypothetical protein, conserved 0.0277 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.3459 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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