Detailed information for compound 1143345

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 526.631 | Formula: C26H38N8O4
  • H donors: 6 H acceptors: 5 LogP: -0.37 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCN(C(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(cc1)O)N)CCCN=C(N)N)CCc1ccccn1
  • InChi: 1S/C26H38N8O4/c1-2-34(15-12-19-6-3-4-13-30-19)23(36)17-32-25(38)22(7-5-14-31-26(28)29)33-24(37)21(27)16-18-8-10-20(35)11-9-18/h3-4,6,8-11,13,21-22,35H,2,5,7,12,14-17,27H2,1H3,(H,32,38)(H,33,37)(H4,28,29,31)/t21-,22+/m0/s1
  • InChiKey: ZHAKUUVBHHIFQD-FCHUYYIVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1702 0.6458
Loa Loa (eye worm) hypothetical protein 0.0084 0.2146 0.5707
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.1035 0.1647
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.1275 0.203
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0055 0.1164 0.7716
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0114 0.0432
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1056 0.2809
Giardia lamblia Hypothetical protein 0.0099 0.2635 1
Brugia malayi CAAX amino terminal protease family protein 0.0099 0.2635 0.7008
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.1035 0.1035
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.2306 0.875
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.1035 0.1647
Toxoplasma gondii aldehyde dehydrogenase 0.0065 0.1509 0.659
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0928 0.3522
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.1275 0.1275
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0114 0.0432
Brugia malayi mbt repeat family protein 0.0051 0.1035 0.2752
Loa Loa (eye worm) peptidase family M48 containing protein 0.0073 0.1769 0.4706
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0065 0.1509 0.2402
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.2146 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0065 0.1509 0.2402
Brugia malayi Probable ClpP-like protease 0.0084 0.2146 0.5707
Schistosoma mansoni hypothetical protein 0.0036 0.05 0.05
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.1275 0.203
Loa Loa (eye worm) hypothetical protein 0.0048 0.0928 0.2468
Loa Loa (eye worm) hypothetical protein 0.0036 0.05 0.1328
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0084 0.2146 1
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0073 0.1769 0.6714
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1509 0.7032
Echinococcus granulosus peptidase Clp S14 family 0.0055 0.1164 0.1853
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 0.5
Loa Loa (eye worm) MBCTL1 0.0058 0.1275 0.3391
Trypanosoma brucei CAAX amino terminal protease, putative 0.0099 0.2635 1
Loa Loa (eye worm) hypothetical protein 0.0089 0.2306 0.6132
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0099 0.2635 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1702 0.6458
Schistosoma mansoni DNA polymerase eta 0.0048 0.0928 0.0928
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0206 0.6284 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0084 0.2146 1
Echinococcus multilocularis CAAX prenyl protease 2 0.0099 0.2635 0.4194
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1509 0.7032
Brugia malayi hypothetical protein 0.0132 0.376 1
Brugia malayi Peptidase family M48 containing protein 0.0073 0.1769 0.4706
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0928 0.3522
Echinococcus multilocularis caax prenyl protease 1 0.0073 0.1769 0.2816
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0443 0.1682
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0099 0.2635 1
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0689 0.1097
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1702 0.6458
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1702 0.4526
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1702 0.6458
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1702 0.2709
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.1035 0.1647
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1702 0.4526
Entamoeba histolytica CAAX prenyl protease family 0.0099 0.2635 1
Echinococcus granulosus dna polymerase eta 0.0048 0.0928 0.1477
Echinococcus granulosus geminin 0.0182 0.5471 0.8706
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.1275 0.203
Mycobacterium ulcerans aldehyde dehydrogenase 0.0065 0.1509 0.7032
Leishmania major DNA polymerase eta, putative 0.0034 0.0443 0.1682
Schistosoma mansoni farnesylated-protein converting enzyme 1 (M48 family) 0.0073 0.1769 0.1769
Trichomonas vaginalis Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase 0.0073 0.1769 0.6714
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.1275 0.3391
Echinococcus multilocularis dna polymerase eta 0.0048 0.0928 0.1477
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.1035 0.1647
Leishmania major CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48 0.0073 0.1769 0.6714
Toxoplasma gondii CAAX metallo endopeptidase 0.0073 0.1769 0.7984
Echinococcus granulosus CAAX prenyl protease 2 0.0099 0.2635 0.4194
Brugia malayi mbt repeat family protein 0.0051 0.1035 0.2752
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1035 0.1035
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0089 0.2306 0.875
Onchocerca volvulus Huntingtin homolog 0.0132 0.376 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1035 0.2752
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.1275 0.203
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0099 0.2635 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1056 0.2809
Loa Loa (eye worm) hypothetical protein 0.0132 0.376 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0084 0.2146 0.2146
Loa Loa (eye worm) hypothetical protein 0.0058 0.1275 0.3391
Echinococcus granulosus caax prenyl protease 1 0.0073 0.1769 0.2816
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1509 0.1509
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1056 0.2809
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0099 0.2635 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0084 0.2146 1
Schistosoma mansoni hypothetical protein 0.0182 0.5471 0.5471
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0099 0.2635 0.2635
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0055 0.1164 0.4744
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0065 0.1509 0.5727
Trypanosoma brucei metallo- peptidase, Clan M- Family M48 0.0073 0.1769 0.6714
Leishmania major DNA polymerase eta, putative 0.0048 0.0928 0.3522
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0065 0.1509 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1702 0.6458
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0055 0.1164 0.7716
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.1035 0.1035
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1702 0.1702
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0084 0.2146 0.3415
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0084 0.2146 1
Entamoeba histolytica CAAX prenyl protease, putative 0.0073 0.1769 0.6714
Loa Loa (eye worm) hypothetical protein 0.0052 0.1056 0.2809
Schistosoma mansoni hypothetical protein 0.0182 0.5471 0.5471
Echinococcus multilocularis peptidase Clp (S14 family) 0.0055 0.1164 0.1853
Loa Loa (eye worm) hypothetical protein 0.0099 0.2635 0.7008
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0928 0.2468
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0084 0.2146 0.3415
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0443 0.0882
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0689 0.1097
Trypanosoma cruzi metallo- peptidase, Clan M- Family M48 0.0073 0.1769 0.6714
Loa Loa (eye worm) hypothetical protein 0.0132 0.376 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0099 0.2635 0.2635
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.1035 0.2752
Schistosoma mansoni aldehyde dehydrogenase 0.0065 0.1509 0.1509
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.05 0.1328
Trypanosoma cruzi CAAX prenyl protease 1, putative 0.0073 0.1769 0.6714
Onchocerca volvulus Huntingtin homolog 0.0132 0.376 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0206 0.6284 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1702 0.2709
Echinococcus multilocularis geminin 0.0182 0.5471 0.8706

Activities

No activities found for this compound.

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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