Detailed information for compound 1623401

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.559 | Formula: C25H31N7O3
  • H donors: 2 H acceptors: 5 LogP: 5.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(NC2CCN(CC2)Cc2ccc(cc2)[N+](=O)[O-])nc(n1)Nc1c(C)cc(cc1C)C
  • InChi: 1S/C25H31N7O3/c1-16-13-17(2)22(18(3)14-16)27-24-28-23(29-25(30-24)35-4)26-20-9-11-31(12-10-20)15-19-5-7-21(8-6-19)32(33)34/h5-8,13-14,20H,9-12,15H2,1-4H3,(H2,26,27,28,29,30)
  • InChiKey: RWXQKEYNVQTYGU-UHFFFAOYSA-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
Giardia lamblia Kinase, putative 0.0095 0.1523 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0129 0.2612 0.5
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0129 0.2612 0.1687
Leishmania major hypothetical protein, conserved 0.0129 0.2612 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0364 1 0.5
Brugia malayi brahma associated protein 60 kDa 0.0364 1 1
Schistosoma mansoni zinc finger protein 0.0129 0.2612 0.0654
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0129 0.2612 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.0364 1 1
Schistosoma mansoni hypothetical protein 0.0364 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0129 0.2612 0.5
Loa Loa (eye worm) hypothetical protein 0.0129 0.2612 0.2612
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.2612 0.1764
Loa Loa (eye worm) hypothetical protein 0.0211 0.5175 0.5175
Trichomonas vaginalis bromodomain-containing protein, putative 0.0211 0.5175 0.4309
Schistosoma mansoni RNA binding protein 0.0129 0.2612 0.0654
Leishmania major hypothetical protein, conserved 0.0129 0.2612 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0129 0.2612 0.5
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0129 0.2612 0.1285
Echinococcus multilocularis zinc finger protein Ran binding 0.0129 0.2612 0.1687
Trypanosoma brucei hypothetical protein, conserved 0.0129 0.2612 0.5
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0129 0.2612 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.2612 0.1764
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0364 1 1
Brugia malayi TAZ zinc finger family protein 0.0113 0.2095 0.1187
Trichomonas vaginalis bromodomain-containing protein, putative 0.0211 0.5175 0.4309
Toxoplasma gondii ran binding protein 0.0129 0.2612 0.1285
Onchocerca volvulus 0.0129 0.2612 0.1285
Trichomonas vaginalis bromodomain containing protein, putative 0.0131 0.2678 0.1363
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.2678 0.1363
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0129 0.2612 0.5
Schistosoma mansoni TRABID protein (C64 family) 0.0129 0.2612 0.0654
Entamoeba histolytica bromodomain-containing protein 0.0095 0.1523 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0129 0.2612 0.5
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0129 0.2612 0.1285
Loa Loa (eye worm) hypothetical protein 0.0129 0.2612 0.2612
Echinococcus multilocularis SWI:SNF matrix associated 0.0364 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0129 0.2612 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0131 0.2678 0.1363
Schistosoma mansoni brg-1 associated factor 0.0364 1 1
Echinococcus granulosus CREB binding protein 0.0113 0.2095 0.1315
Trypanosoma brucei hypothetical protein, conserved 0.0129 0.2612 0.5
Chlamydia trachomatis SWIB complex protein 0.0364 1 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0364 1 1
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0129 0.2612 0.1687
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.2612 0.1764
Echinococcus multilocularis Bromodomain containing protein 0.0095 0.1523 0.0461
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.2612 0.5
Schistosoma mansoni hypothetical protein 0.0364 1 1
Brugia malayi Bromodomain containing protein 0.0211 0.5175 0.4621
Onchocerca volvulus 0.0129 0.2612 0.1285
Brugia malayi SWIB/MDM2 domain containing protein 0.0364 1 1
Schistosoma mansoni fusion 0.0129 0.2612 0.0654
Onchocerca volvulus 0.0364 1 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0129 0.2612 0.1884
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.2612 0.5
Plasmodium vivax hypothetical protein, conserved 0.0364 1 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0364 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0364 1 0.5
Echinococcus granulosus SWI:SNF matrix associated 0.0364 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0116 0.2186 0.0782
Onchocerca volvulus 0.0129 0.2612 0.1285
Entamoeba histolytica bromodomain-containing protein 0.0095 0.1523 0.5
Brugia malayi YY1-associated factor 2 0.0129 0.2612 0.1764
Leishmania major hypothetical protein, conserved 0.0129 0.2612 0.5
Loa Loa (eye worm) CBP-B 0.0083 0.1141 0.1141
Loa Loa (eye worm) hypothetical protein 0.0129 0.2612 0.2612
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0211 0.5175 0.3897
Loa Loa (eye worm) brahma associated protein 0.0364 1 1
Leishmania major hypothetical protein, conserved 0.0129 0.2612 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0129 0.2612 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0129 0.2612 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0129 0.2612 0.1764
Echinococcus granulosus Zinc finger RanBP2 type 0.0129 0.2612 0.1884
Echinococcus granulosus zinc finger protein Ran binding 0.0129 0.2612 0.1884
Trichomonas vaginalis conserved hypothetical protein 0.0364 1 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0364 1 1
Brugia malayi Bromodomain containing protein 0.0211 0.5175 0.4621
Leishmania major hypothetical protein, conserved 0.0129 0.2612 0.5
Schistosoma mansoni hypothetical protein 0.0364 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0364 1 1
Loa Loa (eye worm) bromodomain containing protein 0.0095 0.1523 0.1523
Loa Loa (eye worm) hypothetical protein 0.0129 0.2612 0.2612
Trichomonas vaginalis bromodomain-containing protein, putative 0.0131 0.2678 0.1363
Loa Loa (eye worm) hypothetical protein 0.0129 0.2612 0.2612
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0364 1 1
Echinococcus multilocularis ring and YY1 binding protein 0.0129 0.2612 0.1687
Schistosoma mansoni hypothetical protein 0.0129 0.2612 0.0654
Trichomonas vaginalis bromodomain-containing protein, putative 0.0131 0.2678 0.1363
Onchocerca volvulus 0.0129 0.2612 0.1285
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0364 1 1
Echinococcus granulosus bromodomain containing 2 0.0211 0.5175 0.4699
Echinococcus multilocularis bromodomain containing 2 0.0211 0.5175 0.4571
Entamoeba histolytica bromodomain-containing protein 0.0095 0.1523 0.5
Echinococcus granulosus ring and YY1 binding protein 0.0129 0.2612 0.1884
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0364 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) = 15.4 uM Cytotoxicity against human MT4 cells after 5 days by MTT assay ChEMBL. 22405288

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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