Detailed information for compound 1577572

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.489 | Formula: C24H26N4O2
  • H donors: 0 H acceptors: 3 LogP: 4.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)Cn1c2nc3ccccc3c(c2c(=O)n1c1ccccc1)C)C
  • InChi: 1S/C24H26N4O2/c1-4-5-15-26(3)21(29)16-27-23-22(17(2)19-13-9-10-14-20(19)25-23)24(30)28(27)18-11-7-6-8-12-18/h6-14H,4-5,15-16H2,1-3H3
  • InChiKey: ZSFKKHGDYAPWDU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peripheral-type benzodiazepine receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus granulosus translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Schistosoma mansoni peripheral-type benzodiazepine receptor Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542
Brugia malayi TspO/MBR family protein Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Onchocerca volvulus Get druggable targets OG5_129542 All targets in OG5_129542
Mycobacterium ulcerans tryptophan-rich sensory protein Get druggable targets OG5_129542 All targets in OG5_129542
Echinococcus multilocularis translocator protein Get druggable targets OG5_129542 All targets in OG5_129542
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129542 All targets in OG5_129542

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Peripheral-type benzodiazepine receptor   169 aa 156 aa 25.6 %
Echinococcus granulosus vacuolar h atpase Peripheral-type benzodiazepine receptor   169 aa 137 aa 25.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0101 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0 0.5
Schistosoma mansoni hypothetical protein 0.0283 0.2743 0.8263
Loa Loa (eye worm) hypothetical protein 0.0322 0.3319 1
Loa Loa (eye worm) hypothetical protein 0.0322 0.3319 1
Loa Loa (eye worm) brahma associated protein 0.0283 0.2743 0.8263
Brugia malayi brahma associated protein 60 kDa 0.0283 0.2743 0.8263
Leishmania major hypothetical protein, conserved 0.0101 0 0.5
Brugia malayi brahma associated protein 60 kDa 0.0283 0.2743 0.8263
Plasmodium vivax hypothetical protein, conserved 0.0283 0.2743 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0101 0 0.5
Schistosoma mansoni peripheral-type benzodiazepine receptor 0.0322 0.3319 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0283 0.2743 0.8263
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0101 0 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0283 0.2743 0.8263
Onchocerca volvulus 0.0112 0.0171 0.0515
Brugia malayi TspO/MBR family protein 0.0322 0.3319 1
Leishmania major hypothetical protein, conserved 0.0101 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0101 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0101 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0283 0.2743 1
Mycobacterium ulcerans tryptophan-rich sensory protein 0.0322 0.3319 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0283 0.2743 1
Leishmania major hypothetical protein, conserved 0.0101 0 0.5
Onchocerca volvulus 0.0322 0.3319 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0283 0.2743 0.2743
Leishmania major hypothetical protein, conserved 0.0101 0 0.5
Schistosoma mansoni hypothetical protein 0.0283 0.2743 0.8263
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0101 0 0.5
Onchocerca volvulus 0.0283 0.2743 0.8263
Chlamydia trachomatis SWIB complex protein 0.0283 0.2743 0.5
Onchocerca volvulus 0.0322 0.3319 1
Echinococcus multilocularis translocator protein 0.0322 0.3319 0.3319
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0283 0.2743 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0283 0.2743 0.5
Schistosoma mansoni brg-1 associated factor 0.0283 0.2743 0.8263
Echinococcus granulosus SWI:SNF matrix associated 0.0283 0.2743 0.2743
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0283 0.2743 0.2743
Loa Loa (eye worm) hypothetical protein 0.0322 0.3319 1
Echinococcus multilocularis tumor protein p63 0.0767 1 1
Schistosoma mansoni cellular tumor antigen P53 0.0112 0.0171 0.0515
Trypanosoma cruzi WLM domain containing protein, putative 0.0101 0 0.5
Brugia malayi hypothetical protein 0.013 0.0437 0.1317
Echinococcus multilocularis SWI:SNF matrix associated 0.0283 0.2743 0.2743
Echinococcus multilocularis SWI:SNF matrix associated 0.0283 0.2743 0.2743
Trichomonas vaginalis conserved hypothetical protein 0.0283 0.2743 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0283 0.2743 1
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0101 0 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0283 0.2743 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0101 0 0.5
Onchocerca volvulus 0.0322 0.3319 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.0171 0.0515
Echinococcus multilocularis SWI:SNF matrix associated 0.0283 0.2743 0.2743
Onchocerca volvulus 0.0322 0.3319 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0101 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0101 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0322 0.3319 1
Schistosoma mansoni hypothetical protein 0.0283 0.2743 0.8263
Echinococcus granulosus translocator protein 0.0322 0.3319 0.3319
Trypanosoma brucei hypothetical protein, conserved 0.0101 0 0.5
Leishmania major hypothetical protein, conserved 0.0101 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 65 nM Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat brain homogenates after 90 mins by liquid scintillation spectrometry ChEMBL. 21916402

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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