Detailed information for compound 949139

Basic information

Technical information
  • TDR Targets ID: 949139
  • Name: 2-[2-(ethylcarbamoylamino)propan-2-yl]-1H-ben zimidazole-4-carboxamide
  • MW: 289.333 | Formula: C14H19N5O2
  • H donors: 4 H acceptors: 3 LogP: 0.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)NC(c1nc2c([nH]1)cccc2C(=O)N)(C)C
  • InChi: 1S/C14H19N5O2/c1-4-16-13(21)19-14(2,3)12-17-9-7-5-6-8(11(15)20)10(9)18-12/h5-7H,4H2,1-3H3,(H2,15,20)(H,17,18)(H2,16,19,21)
  • InChiKey: FNKQTDRFQXUIRH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-(ethylcarbamoylamino)-1-methyl-ethyl]-1H-benzimidazole-4-carboxamide
  • 2-[1-(ethylcarbamoylamino)-1-methylethyl]-1H-benzimidazole-4-carboxamide

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
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing 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
Loa Loa (eye worm) hypothetical 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
Loa Loa (eye worm) hypothetical protein 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 mansoni 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
Schistosoma mansoni 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
Entamoeba histolytica hypothetical protein 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
Schistosoma mansoni 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 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 brucei poly(adp-ribose) polymerase 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
Entamoeba histolytica poly(ADP-ribose) polymerase, 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
Schistosoma japonicum Poly [ADP-ribose] polymerase 1, 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
Echinococcus granulosus poly (ADP ribose) polymerase 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
Brugia malayi WGR domain containing protein 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
Echinococcus multilocularis 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
Loa Loa (eye worm) 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
Echinococcus granulosus WGR 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 Immunoglobulin I-set domain containing protein 0.0042 0.0081 0.0032
Loa Loa (eye worm) hypothetical protein 0.0132 0.0546 0.05
Echinococcus granulosus Immunoglobulin 0.0036 0.0049 0.0049
Schistosoma mansoni nephrin 0.0041 0.0073 0.0079
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.062 0.3079 0.3045
Echinococcus granulosus poly (ADP ribose) polymerase 0.0054 0.014 0.014
Echinococcus granulosus raf serine:threonine protein kinase 0.0258 0.1203 0.1203
Brugia malayi map kinase activated protein kinase protein 2 0.062 0.3079 0.3045
Echinococcus granulosus poly ADP ribose polymerase 1 0.0174 0.0762 0.0762
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.1952 1 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0068 0.0215 0.0168
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1952 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0095 0.0355 0.1012
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0174 0.0762 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.018 0.0797 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.062 0.3079 0.3079
Echinococcus granulosus poly adp ribose polymerase 2 0.0095 0.0355 0.0355
Echinococcus multilocularis raf serine:threonine protein kinase 0.0258 0.1203 0.116
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0174 0.0762 0.2353
Loa Loa (eye worm) hypothetical protein 0.0041 0.0073 0.0024
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0174 0.0762 0.0716
Echinococcus granulosus neuroglian 0.0041 0.0073 0.0073
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.1952 1 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.062 0.3079 0.3045
Loa Loa (eye worm) raf kinase 0.0252 0.1171 0.1128
Echinococcus multilocularis mitogen activated protein kinase 11 0.1952 1 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.1952 1 1
Echinococcus granulosus defective proboscis extension response 0.0036 0.0049 0.0049
Echinococcus multilocularis poly (ADP ribose) polymerase 0.004 0.0067 0.0018
Echinococcus multilocularis roundabout 2 0.0041 0.0073 0.0024
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0036 0.0049 0.0049
Echinococcus multilocularis mitogen activated protein kinase 14 0.1952 1 1
Echinococcus granulosus WGR domain containing protein 0.0054 0.014 0.014
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0082 0.0288 0.0792
Schistosoma mansoni serine/threonine protein kinase 0.062 0.3079 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0042 0.0081 0.0032
Loa Loa (eye worm) hypothetical protein 0.0041 0.0073 0.0024
Echinococcus granulosus mitogen activated protein kinase 11 0.1952 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0258 0.1203 0.3809
Loa Loa (eye worm) hypothetical protein 0.0095 0.0355 0.0308
Echinococcus granulosus mitogen activated protein kinase 14 0.1952 1 1
Brugia malayi Raf kinase 0.025 0.1157 0.1114
Echinococcus multilocularis mitogen activated protein kinase 14 0.1952 1 1
Echinococcus granulosus twitchin 0.005 0.0121 0.0121
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.1298 0.6604 0.6604
Brugia malayi WGR domain containing protein 0.0095 0.0355 0.0308
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0095 0.0355 0.0308
Brugia malayi WGR domain containing protein 0.0174 0.0762 0.0716
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0149 0.0632 0.0587
Echinococcus multilocularis neuroglian 0.0041 0.0073 0.0024
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.1952 1 1
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.1952 1 1
Echinococcus granulosus roundabout 2 0.0041 0.0073 0.0073

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) Inhibition of PARP1 in cell based assay ChEMBL. 18586490
Ki (binding) = 870 nM Inhibition of PARP1 ChEMBL. 18586490

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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