Detailed information for compound 431005

Basic information

Technical information
  • TDR Targets ID: 431005
  • Name: N-[[5-[(1Z)-1-[5-(carbamoylamino)-2-oxo-1H-in dol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]ac etamide
  • MW: 353.375 | Formula: C18H19N5O3
  • H donors: 5 H acceptors: 3 LogP: 0.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCc1c[nH]c(c1)/C(=C/1\C(=O)Nc2c1cc(cc2)NC(=O)N)/C
  • InChi: 1S/C18H19N5O3/c1-9(15-5-11(8-21-15)7-20-10(2)24)16-13-6-12(22-18(19)26)3-4-14(13)23-17(16)25/h3-6,8,21H,7H2,1-2H3,(H,20,24)(H,23,25)(H3,19,22,26)/b16-9-
  • InChiKey: LOQFJHOTUSHCJC-SXGWCWSVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[5-[(1Z)-1-(2-oxo-5-ureido-indolin-3-ylidene)ethyl]-1H-pyrrol-3-yl]methyl]acetamide
  • N-[[5-[(1Z)-1-(2-oxo-5-ureido-3-indolinylidene)ethyl]-1H-pyrrol-3-yl]methyl]acetamide
  • N-[[5-[(1Z)-1-[5-(aminocarbonylamino)-2-oxo-1H-indol-3-ylidene]ethyl]-1H-pyrrol-3-yl]methyl]ethanamide
  • N-[[5-[(1Z)-1-(2-keto-5-ureido-indolin-3-ylidene)ethyl]-1H-pyrrol-3-yl]methyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 3-phosphoinositide dependent protein kinase 1 Starlite/ChEMBL References
Homo sapiens v-akt murine thymoma viral oncogene homolog 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium yoelii kinase Akt/PKB-related Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine threonine protein kinase nrc Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K06276 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Neospora caninum Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans likely protein kinase similar to S. cerevisiae YPK2 (YMR104C) Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum Sodium/potassium-transporting ATPase subunit beta-1, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase 2, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma japonicum ko:K04456 RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus calcium:calmodulin dependent protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi phosphoinositide-dependent protein kinase I Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Toxoplasma gondii AGC kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus multilocularis nervana 2 Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium berghei rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Plasmodium vivax rac-beta serine/threonine protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/RSK/P70 protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma brucei gambiense rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Giardia lamblia Kinase, AGC PKA Get druggable targets OG5_126635 All targets in OG5_126635
Plasmodium knowlesi RAC-beta serine/threonine protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus multilocularis rac serine:threonine kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma congolense rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Candida albicans protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma mansoni serine/threonine-protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Echinococcus granulosus Glutaredoxin protein 5 Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K07390 monothiol glutaredoxin, putative Get druggable targets OG5_126635 All targets in OG5_126635
Brugia malayi p70 ribosomal S6 kinase beta Get druggable targets OG5_126635 All targets in OG5_126635
Loa Loa (eye worm) AGC/AKT protein kinase Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi Protein kinase B Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum RAC serine/threonine-protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Schistosoma japonicum ko:K08792 serum/glucocorticoid regulated kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Trypanosoma cruzi rac serine-threonine kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_126635 All targets in OG5_126635
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
Chlamydia trachomatis biotin carboxylase 0.0908 0.2843 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1 0.3226 0.3226
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1 0.3226 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0356 0.0541 0.1676
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0356 0.0541 0.0927
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2534 0.9617 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1 0.3226 0.2839
Leishmania major acetyl-CoA carboxylase, putative 0.2626 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.19 0.6976 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0356 0.0541 0.1676
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.2626 1 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0356 0.0541 0.1676
Loa Loa (eye worm) hypothetical protein 0.073 0.2098 0.038
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0356 0.0541 0.1676
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0356 0.0541 0.1676
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1 0.3226 0.3226
Schistosoma mansoni acetyl-CoA carboxylase 0.2626 1 1
Toxoplasma gondii pyruvate carboxylase 0.1 0.3226 0.3226
Brugia malayi Carboxyl transferase domain containing protein 0.2534 0.9617 0.5
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0356 0.0541 0.0927
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1 0.3226 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.1626 0.5832 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1 0.3226 0.5531
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1 0.3226 0.3226
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0356 0.0541 0.1676
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1 0.3226 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1 0.3226 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0356 0.0541 0.0541
Trypanosoma brucei unspecified product 0.0658 0.1798 0.1798
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.2626 1 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.19 0.6976 1
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0448 0.0924 0.5
Trypanosoma brucei acetyl-CoA carboxylase 0.2626 1 1
Leishmania major carboxylase, putative 0.1 0.3226 0.3226
Echinococcus granulosus sterol O acyltransferase 1 0.073 0.2098 0.1646
Schistosoma mansoni pyruvate carboxylase 0.1 0.3226 0.3226
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1 0.3226 0.3226
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0356 0.0541 0.0927
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0356 0.0541 0.0541
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0356 0.0541 0.0541
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1 0.3226 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0356 0.0541 0.1676
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0356 0.0541 0.0541
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1 0.3226 0.5531
Mycobacterium ulcerans pyruvate carboxylase 0.1 0.3226 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1 0.3226 0.3226
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1 0.3226 0.2839
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.2626 1 1
Echinococcus multilocularis sterol O acyltransferase 1 0.073 0.2098 0.1646
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1 0.3226 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0356 0.0541 0.0541
Schistosoma mansoni sterol O-acyltransferase 1 0.073 0.2098 0.2098
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1 0.3226 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0448 0.0924 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 nM Inhibition of AKT2 ChEMBL. 17544272
IC50 (binding) = 8 nM Inhibition of AKT2 ChEMBL. 17544272
IC50 (functional) = 1 uM Inhibition of AKT phosphorylation in PC3 cells ChEMBL. 17544272
IC50 (functional) = 1 uM Inhibition of AKT phosphorylation in PC3 cells ChEMBL. 17544272

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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