Detailed information for compound 337480

Basic information

Technical information
  • TDR Targets ID: 337480
  • Name: 1-N',7-N'-bis(2-phenoxyacetyl)heptanedihydraz ide
  • MW: 456.492 | Formula: C23H28N4O6
  • H donors: 4 H acceptors: 4 LogP: 2.39 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NNC(=O)COc1ccccc1)CCCCCC(=O)NNC(=O)COc1ccccc1
  • InChi: 1S/C23H28N4O6/c28-20(24-26-22(30)16-32-18-10-4-1-5-11-18)14-8-3-9-15-21(29)25-27-23(31)17-33-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,28)(H,25,29)(H,26,30)(H,27,31)
  • InChiKey: XHANEBRMODXIFB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N1',N7'-bis(2-phenoxyacetyl)heptanedihydrazide
  • N1',N7'-bis(1-oxo-2-phenoxyethyl)heptanedihydrazide
  • N1',N7'-bis(2-phenoxyethanoyl)heptanedihydrazide
  • N1',N7'-bis(2-phenoxyacetyl)pimelohydrazide
  • N1',N7'-bis[2-(phenoxy)acetyl]heptanedihydrazide
  • N1',N7'-bis[1-oxo-2-(phenoxy)ethyl]heptanedihydrazide
  • N1',N7'-bis[2-(phenoxy)acetyl]pimelohydrazide
  • N1',N7'-bis[2-(phenoxy)ethanoyl]heptanedihydrazide

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
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB9 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB2 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB1 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Mycobacterium leprae Possible secreted protease 0.023 0.0265 0.5
Echinococcus granulosus furin 0.023 0.0265 0.0594
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.023 0.0265 0.5
Onchocerca volvulus 0.023 0.0265 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0033 0.0033
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.023 0.0265 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.023 0.0265 0.0265
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Schistosoma mansoni site-1 peptidase (S08 family) 0.023 0.0265 0.0265
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB10 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Plasmodium vivax subtilisin-like protease 1 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Schistosoma mansoni plexin 0.0058 0.0033 0.0033
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Plasmodium vivax subtilisin-like serine protease, putative 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0265 0.5
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.023 0.0265 0.5
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.023 0.0265 0.5
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.2793 0.3716 1
Plasmodium falciparum subtilisin-like protease 3 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.7459 1 1
Leishmania major subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Brugia malayi plexin A 0.0069 0.0047 0.0014
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.2793 0.3716 1
Echinococcus multilocularis neuroendocrine convertase 2 0.023 0.0265 0.0594
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0265 0.5
Echinococcus granulosus membrane bound transcription factor site 1 0.023 0.0265 0.0594
Loa Loa (eye worm) hypothetical protein 0.023 0.0265 0.0265
Schistosoma mansoni site-1 peptidase (S08 family) 0.023 0.0265 0.0265
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.023 0.0265 0.5
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.023 0.0265 0.0233
Plasmodium vivax subtilisin-like protease 2, putative 0.023 0.0265 0.5
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.023 0.0265 0.5
Echinococcus multilocularis membrane bound transcription factor site 1 0.023 0.0265 0.0594
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.023 0.0265 0.0594
Echinococcus multilocularis 0.023 0.0265 0.0594
Echinococcus granulosus Furin 1 0.023 0.0265 0.0594
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0573 0.0727 0.1853
Brugia malayi endoprotease bli-4 precursor 0.023 0.0265 0.0233
Trypanosoma brucei subtilisin peptidase 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB11 0.023 0.0265 0.5
Loa Loa (eye worm) hypothetical protein 0.023 0.0265 0.0265
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.023 0.0265 0.5
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.023 0.0265 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0265 0.5
Brugia malayi neuroendocrine convertase 1 precursor 0.023 0.0265 0.0233
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.023 0.0265 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.023 0.0265 0.0594
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.023 0.0265 0.0265
Toxoplasma gondii subtilisin SUB6 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB12 0.023 0.0265 0.5
Toxoplasma gondii subtilisin SUB4 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Plasmodium falciparum subtilisin-like protease 1 0.023 0.0265 0.5
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.023 0.0265 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.023 0.0265 0.5
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.023 0.0265 0.0233
Toxoplasma gondii subtilisin SUB7 0.023 0.0265 0.5
Loa Loa (eye worm) endoprotease bli-4 0.023 0.0265 0.0265
Toxoplasma gondii subtilisin SUB8 0.023 0.0265 0.5
Brugia malayi proprotein convertase 2 0.023 0.0265 0.0233
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0573 0.0727 0.1853
Trypanosoma cruzi subtilisin peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Loa Loa (eye worm) proprotein convertase 2 0.023 0.0265 0.0265
Echinococcus multilocularis Furin 1 0.023 0.0265 0.0594
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Schistosoma mansoni furin-1 (S08 family) 0.023 0.0265 0.0265
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.023 0.0265 0.5
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.023 0.0265 0.0594
Loa Loa (eye worm) subtilase 0.7459 1 1
Brugia malayi celfurPC protein 0.023 0.0265 0.0233
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Trichomonas vaginalis conserved hypothetical protein 0.023 0.0265 0.5
Plasmodium falciparum subtilisin-like protease 2 0.023 0.0265 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.023 0.0265 0.5
Loa Loa (eye worm) plexin A 0.0069 0.0047 0.0047
Toxoplasma gondii subtilisin SUB5 0.023 0.0265 0.5

Activities

Activity type Activity value Assay description Source Reference
Affinity (binding) = 16 % Affinity against human adrenomedullin receptor ChEMBL. 15943480
Affinity (binding) = 16 % Affinity against human adrenomedullin receptor ChEMBL. 15943480

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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