Detailed information for compound 229270

Basic information

Technical information
  • TDR Targets ID: 229270
  • Name: 2-(3-methoxyphenyl)-1H-benzimidazole-4-carbox amide
  • MW: 267.283 | Formula: C15H13N3O2
  • H donors: 2 H acceptors: 2 LogP: 2 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1nc2c([nH]1)cccc2C(=O)N
  • InChi: 1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
  • InChiKey: NVVWVYYHTKCIAE-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(3'-METHOXYPHENYL) BENZIMIDAZOLE-4-CARBOXAMIDE
  • BZC

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
Schistosoma mansoni poly [ADP-ribose] polymerase 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 japonicum Poly [ADP-ribose] polymerase 2, putative 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
Echinococcus multilocularis poly (ADP ribose) polymerase 1 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
Neospora caninum hypothetical protein 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
Schistosoma japonicum ko:K00774 NAD ADP-ribosyltransferase [EC2.4.2.30], 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
Trypanosoma brucei gambiense poly(ADP-ribose) polymerase, putative 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 Poly [ADP-ribose] polymerase 2-A, putative 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
Echinococcus granulosus poly (ADP ribose) polymerase 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
Loa Loa (eye worm) hypothetical protein 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
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
Echinococcus multilocularis poly (ADP ribose) polymerase 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
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
Echinococcus granulosus poly (ADP ribose) polymerase 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128423 All targets in OG5_128423
Entamoeba histolytica hypothetical protein 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 2 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
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 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
Brugia malayi WGR domain containing protein 0.0095 0.266 0.4001
Brugia malayi WGR domain containing protein 0.0174 0.665 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.0947
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0136 0.4723 0.3495
Echinococcus granulosus calpain 0.0062 0.0947 0.0657
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0171 0.6528 0.6165
Echinococcus granulosus calpain 5 0.0062 0.0947 0.0657
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.3561
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0239 1 0.5
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0062 0.0947 0.3561
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0174 0.665 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.266 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0171 0.6528 0.9787
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0947 0.3561
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.0947
Mycobacterium ulcerans carbonic anhydrase 0.0239 1 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.018 0.6997 0.5
Loa Loa (eye worm) hypothetical protein 0.0145 0.5203 0.846
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0095 0.266 1
Leishmania major carbonic anhydrase family protein, putative 0.0239 1 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0068 0.1285 0.209
Echinococcus granulosus poly ADP ribose polymerase 1 0.0174 0.665 1
Loa Loa (eye worm) calpain family protein 1 0.0121 0.3946 0.6416
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0095 0.266 0.3004
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561
Echinococcus granulosus calpain A 0.0062 0.0947 0.0657
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561
Loa Loa (eye worm) hypothetical protein 0.0164 0.615 1
Loa Loa (eye worm) calpain family protein 1 0.0164 0.615 1
Trypanosoma brucei antigen, putative 0.0062 0.0947 0.3561
Brugia malayi calpain family protein 1 0.0164 0.615 0.9248
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0171 0.6528 0.9801
Loa Loa (eye worm) hypothetical protein 0.0132 0.4536 0.7375
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.3561
Loa Loa (eye worm) hypothetical protein 0.0121 0.3946 0.6416
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0082 0.2004 0.1167
Echinococcus multilocularis calpain family protein 1, d 0.0121 0.3946 0.5259
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0947 0.3561
Echinococcus granulosus poly adp ribose polymerase 2 0.0095 0.266 0.3464
Echinococcus granulosus calpain 7 C02 family 0.0062 0.0947 0.0657
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0947 0.3561
Echinococcus multilocularis calpain A 0.0171 0.6528 0.9787
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.3561
Brugia malayi calpain family protein 1 0.0164 0.615 0.9248
Loa Loa (eye worm) hypothetical protein 0.0095 0.266 0.4326
Schistosoma mansoni carbonic anhydrase 0.0239 1 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.2999 0.4876
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0196 0.7793 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0171 0.6528 0.6165
Loa Loa (eye worm) calpain 0.0062 0.0947 0.154
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0095 0.266 0.1892
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.0947
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0164 0.615 0.5747
Trypanosoma brucei poly(adp-ribose) polymerase 0.0095 0.266 1
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.3073 0.5
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0947 0.3561
Trichomonas vaginalis conserved hypothetical protein 0.0103 0.3073 0.5
Brugia malayi calpain 7 0.0062 0.0947 0.1425
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0174 0.665 0.6299
Echinococcus granulosus calpain A 0.0171 0.6528 0.9801
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.3561
Onchocerca volvulus 0.0102 0.2999 0.5
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0174 0.665 0.665
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0947 0.3561
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561
Plasmodium vivax calpain, putative 0.0062 0.0947 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0947 0.3561

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6 nM In vitro inhibition against human full length PARP protein ChEMBL. 11063605
Ki (binding) = 6 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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