Detailed information for compound 228273

Basic information

Technical information
  • TDR Targets ID: 228273
  • Name: 2-(4-aminophenyl)-1H-benzimidazole-4-carboxam ide
  • MW: 252.271 | Formula: C14H12N4O
  • H donors: 3 H acceptors: 2 LogP: 1.34 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(cc1)c1nc2c([nH]1)cccc2C(=O)N
  • InChi: 1S/C14H12N4O/c15-9-6-4-8(5-7-9)14-17-11-3-1-2-10(13(16)19)12(11)18-14/h1-7H,15H2,(H2,16,19)(H,17,18)
  • InChiKey: CORDOWZJZKLEHO-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens poly (ADP-ribose) polymerase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei gambiense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly ADP ribose polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly adp ribose polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Brugia malayi WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus WGR domain containing protein Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2-A, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (adp ribose) polymerase 2 Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 2, putative Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus multilocularis poly (ADP ribose) polymerase 1 Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma brucei poly(adp-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, putative Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma congolense poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Echinococcus granulosus poly (ADP ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Neospora caninum hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative Get druggable targets OG5_128423 All targets in OG5_128423
Loa Loa (eye worm) poly(ADP-ribose) polymerase Get druggable targets OG5_128423 All targets in OG5_128423
Schistosoma mansoni poly [ADP-ribose] polymerase Get druggable targets OG5_128423 All targets in OG5_128423

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
Loa Loa (eye worm) hypothetical protein 0.0023 0.0049 0.0821
Schistosoma mansoni hypothetical protein 0.0054 0.0207 0.2553
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0054 0.0207 0.2553
Loa Loa (eye worm) RecQ helicase 0.0023 0.0049 0.0809
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0207 0.2553
Echinococcus granulosus carbonic anhydrase II 0.0054 0.0207 0.2553
Echinococcus multilocularis poly (ADP ribose) polymerase 0.004 0.0136 0.1677
Schistosoma mansoni hypothetical protein 0.0131 0.0594 0.7321
Echinococcus granulosus carbonic anhydrase 0.0054 0.0207 0.2553
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.0416 1
Trypanosoma cruzi DNA repair protein, putative 0.0023 0.0049 0.00000000052727
Loa Loa (eye worm) hypothetical protein 0.0018 0.0026 0.0427
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0207 0.2553
Entamoeba histolytica hypothetical protein 0.0027 0.0071 0.0877
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0071 0.0877
Toxoplasma gondii hypothetical protein 0.0054 0.0207 0.235
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.0207 0.2553
Echinococcus multilocularis geminin 0.0131 0.0594 0.7321
Echinococcus multilocularis bloom syndrome protein 0.0023 0.0049 0.06
Echinococcus granulosus poly ADP ribose polymerase 1 0.0174 0.0811 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0054 0.0207 0.4296
Leishmania major DNA repair protein, putative 0.0023 0.0049 0.0000000012275
Echinococcus granulosus carbonic anhydrase 0.0054 0.0207 0.2553
Brugia malayi WGR domain containing protein 0.0095 0.0416 0.5133
Loa Loa (eye worm) carbonic anhydrase 3 0.0054 0.0207 0.344
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.0207 0.4296
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0012 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0082 0.0351 0.4332
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0207 0.2553
Mycobacterium ulcerans malate synthase G 0.1994 1 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.0207 0.344
Onchocerca volvulus DNA ligase 3 homolog 0.0023 0.0049 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0207 0.2553
Echinococcus granulosus geminin 0.0131 0.0594 0.7321
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0068 0.028 0.4657
Trypanosoma brucei poly(adp-ribose) polymerase 0.0095 0.0416 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0207 0.2553
Trypanosoma brucei DNA repair protein, putative 0.0023 0.0049 0.00000000052727
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0095 0.0416 0.5133
Schistosoma mansoni hypothetical protein 0.0131 0.0594 0.7321
Echinococcus granulosus poly (ADP ribose) polymerase 0.0054 0.0207 0.2554
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0207 0.2553
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0095 0.0416 0.5133
Brugia malayi Bloom's syndrome protein homolog 0.0023 0.0049 0.06
Schistosoma mansoni carbonic anhydrase 0.0054 0.0207 0.2553
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0054 0.0207 0.2553
Trichomonas vaginalis DNA helicase recq, putative 0.0023 0.0049 1
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0207 0.2553
Echinococcus granulosus carbonic anhydrase 0.0054 0.0207 0.2553
Leishmania major carbonic anhydrase-like protein 0.0054 0.0207 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.0416 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0207 0.2553
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0174 0.0811 1
Echinococcus granulosus WGR domain containing protein 0.0054 0.0207 0.2554
Loa Loa (eye worm) hypothetical protein 0.0095 0.0416 0.6917
Echinococcus multilocularis carbonic anhydrase 0.0054 0.0207 0.2553
Loa Loa (eye worm) hypothetical protein 0.0132 0.0602 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0095 0.0416 0.5133
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0054 0.0207 0.2553
Trichomonas vaginalis DNA helicase recq1, putative 0.0023 0.0049 1
Mycobacterium tuberculosis Malate synthase G GlcB 0.1994 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0054 0.0207 0.2553
Brugia malayi WGR domain containing protein 0.0174 0.0811 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0071 0.0877
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0174 0.0811 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0207 0.344
Loa Loa (eye worm) hypothetical protein 0.0054 0.0207 0.344
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.018 0.0845 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0018 0.0025 0.0306
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0054 0.0207 0.4296
Echinococcus granulosus bloom syndrome protein 0.0023 0.0049 0.06
Schistosoma mansoni carbonic anhydrase-related 0.0054 0.0207 0.2553
Echinococcus multilocularis carbonic anhydrase II 0.0054 0.0207 0.2553
Loa Loa (eye worm) hypothetical protein 0.0054 0.0207 0.344
Echinococcus granulosus poly (ADP ribose) polymerase 0.0027 0.0071 0.0877
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0174 0.0811 1
Plasmodium falciparum carbonic anhydrase 0.0054 0.0207 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0054 0.0207 0.344

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11 nM In vitro inhibition against human full length PARP protein ChEMBL. 11063605
Ki (binding) = 11 nM In vitro inhibition against human full length PARP protein ChEMBL. 11063605

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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