Detailed information for compound 1637770

Basic information

Technical information
  • TDR Targets ID: 1637770
  • Name: 5-[[5-[(5-amino1H-indole-2-carbonyl)amino]1H- indole-2-carbonyl]amino]-N-(2-diethylaminoeth yl)-1H-indole-2-carboxamide
  • MW: 590.675 | Formula: C33H34N8O3
  • H donors: 7 H acceptors: 3 LogP: 4.34 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCN(CCNC(=O)c1cc2c([nH]1)ccc(c2)NC(=O)c1[nH]c2c(c1)cc(cc2)NC(=O)c1[nH]c2c(c1)cc(cc2)N)CC
  • InChi: 1S/C33H34N8O3/c1-3-41(4-2)12-11-35-31(42)28-17-20-14-23(6-9-26(20)38-28)37-33(44)30-18-21-15-24(7-10-27(21)40-30)36-32(43)29-16-19-13-22(34)5-8-25(19)39-29/h5-10,13-18,38-40H,3-4,11-12,34H2,1-2H3,(H,35,42)(H,36,43)(H,37,44)
  • InChiKey: DERBHUXENPWNHC-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-[[[5-[[(5-amino-1H-indol-2-yl)-oxomethyl]amino]-1H-indol-2-yl]-oxomethyl]amino]-N-(2-diethylaminoethyl)-1H-indole-2-carboxamide
  • 5-[[5-[(5-amino-1H-indol-2-yl)carbonylamino]-1H-indol-2-yl]carbonylamino]-N-(2-diethylaminoethyl)-1H-indole-2-carboxamide
  • NCI60_035492
  • NSC699146

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis nervana 2 0.0384 0.2644 0.2521
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0164 0.0164
Brugia malayi serine/threonine kinase 12 0.0906 1 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0906 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0384 0.2644 0.2521
Leishmania major protein kinase, putative 0.0906 1 0.5
Loa Loa (eye worm) AUR protein kinase 0.0906 1 1
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0395 0.2809 0.2689
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0906 1 1
Entamoeba histolytica protein kinase, putative 0.0906 1 1
Echinococcus granulosus aurora kinase A 0.0906 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0395 0.2809 0.2689
Loa Loa (eye worm) AUR protein kinase 0.0906 1 1
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Echinococcus multilocularis sodium calcium exchanger 0.0572 0.5291 0.5212
Entamoeba histolytica protein kinase, putative 0.0591 0.5562 0.5488
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0384 0.2644 0.2521
Loa Loa (eye worm) hypothetical protein 0.0229 0.0464 0.0305
Echinococcus granulosus sodium calcium exchanger 0.0572 0.5291 0.5212
Loa Loa (eye worm) AUR protein kinase 0.0906 1 1
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Schistosoma mansoni serine/threonine protein kinase 0.0906 1 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0906 1 1
Trichomonas vaginalis AGC family protein kinase 0.0906 1 1
Brugia malayi serine/threonine-protein kinase 6 0.0906 1 1
Echinococcus granulosus nervana 2 0.0384 0.2644 0.2521
Brugia malayi Protein kinase domain containing protein 0.0591 0.5562 0.5488
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Entamoeba histolytica protein kinase, putative 0.0906 1 1
Echinococcus multilocularis nervana 2 0.0384 0.2644 0.2521
Entamoeba histolytica protein kinase 2, putative 0.0395 0.2809 0.2689
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0384 0.2644 0.2521
Plasmodium falciparum serine/threonine protein kinase, putative 0.0906 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0395 0.2809 0.2689
Echinococcus multilocularis rac serine:threonine kinase 0.0395 0.2809 0.2689
Trypanosoma brucei aurora B kinase 0.0906 1 1
Entamoeba histolytica protein kinase, putative 0.0591 0.5562 0.5488
Brugia malayi p70 ribosomal S6 kinase beta 0.0591 0.5562 0.5488
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Loa Loa (eye worm) solute carrier family 8 0.0572 0.5291 0.5212
Entamoeba histolytica PH domain containing protein kinase, putative 0.0395 0.2809 0.2689
Trichomonas vaginalis AGC family protein kinase 0.0906 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0906 1 1
Schistosoma mansoni sodium/calcium exchanger 0.0572 0.5291 0.5212
Brugia malayi Sodium/calcium exchanger protein 0.0229 0.0464 0.0305
Trichomonas vaginalis AGC family protein kinase 0.0906 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0906 1 1
Schistosoma mansoni protein kinase 0.0906 1 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0906 1 1
Entamoeba histolytica protein kinase, putative 0.0591 0.5562 0.5488
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0164 0.0164
Schistosoma mansoni serine/threonine-protein kinase 0.0395 0.2809 0.2689
Trichomonas vaginalis AGC family protein kinase 0.0906 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0906 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0395 0.2809 0.2689
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Toxoplasma gondii aurora kinase 0.0906 1 1
Trichomonas vaginalis AGC family protein kinase 0.0591 0.5562 0.5562
Entamoeba histolytica protein kinase , putative 0.0906 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0395 0.2809 0.2689
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0164 0.0164
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0591 0.5562 0.5488
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0906 1 1
Echinococcus multilocularis aurora kinase A 0.0906 1 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0384 0.2644 0.2521
Trichomonas vaginalis AGC family protein kinase 0.0207 0.0164 0.0164
Echinococcus granulosus nervana 2 0.0384 0.2644 0.2521
Loa Loa (eye worm) AGC/AKT protein kinase 0.0591 0.5562 0.5488
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0395 0.2809 0.2689
Giardia lamblia Aurora kinase 0.0906 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (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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