Detailed information for compound 1714995

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.493 | Formula: C23H28N4O3
  • H donors: 0 H acceptors: 4 LogP: 5.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(CC)nc(n1)OCCCn1c2ccc(cc2c2c1CCCC2)[N+](=O)[O-]
  • InChi: 1S/C23H28N4O3/c1-3-16-14-17(4-2)25-23(24-16)30-13-7-12-26-21-9-6-5-8-19(21)20-15-18(27(28)29)10-11-22(20)26/h10-11,14-15H,3-9,12-13H2,1-2H3
  • InChiKey: HIBVCYBQWSXCCJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens scavenger receptor class B, member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma mansoni CD36-like class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus multilocularis CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus multilocularis lysosome membrane protein 2 Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma japonicum Lysosome membrane protein 2, putative Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus multilocularis CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma mansoni CD36-like class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129842 All targets in OG5_129842
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus multilocularis CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Brugia malayi CD36 family protein Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma japonicum Lysosome membrane protein 2, putative Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) Get druggable targets OG5_129842 All targets in OG5_129842
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129842 All targets in OG5_129842
Onchocerca volvulus Lysosome membrane protein 2 homolog Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus lysosome membrane protein 2 Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus granulosus CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Echinococcus multilocularis CD36 class B scavenger receptor Get druggable targets OG5_129842 All targets in OG5_129842
Schistosoma japonicum Lysosome membrane protein 2, putative Get druggable targets OG5_129842 All targets in OG5_129842

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 acetylcholinesterase 0.0044 0.1291 0.2562
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1386 0.2834
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0146 0.504 1
Trypanosoma cruzi sterol C-24 reductase, putative 0.0029 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0135 0.4632 0.4632
Echinococcus granulosus CD36 class B scavenger receptor 0.0135 0.4632 0.9473
Echinococcus granulosus CD36 class B scavenger receptor 0.0135 0.4632 0.9473
Loa Loa (eye worm) hypothetical protein 0.0051 0.1563 0.1563
Echinococcus multilocularis carboxylesterase 5A 0.0044 0.1291 0.2562
Echinococcus multilocularis CD36 class B scavenger receptor 0.0135 0.4632 0.9191
Loa Loa (eye worm) hypothetical protein 0.0135 0.4632 0.4632
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.1271 0.2598
Echinococcus multilocularis CD36 class B scavenger receptor 0.0135 0.4632 0.9191
Brugia malayi MH2 domain containing protein 0.012 0.4099 0.8132
Leishmania major C-14 sterol reductase, putative 0.0029 0.0759 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0099 0.0202
Plasmodium falciparum histone acetyltransferase GCN5 0.0039 0.114 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0135 0.4632 0.9473
Schistosoma mansoni cd36 antigen 0.0051 0.1563 0.3101
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1386 0.275
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.1271 0.5
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0135 0.4632 0.9191
Echinococcus multilocularis CD36 class B scavenger receptor 0.0135 0.4632 0.9191
Echinococcus multilocularis lysosome membrane protein 2 0.0135 0.4632 0.9191
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.4099 0.4099
Loa Loa (eye worm) hypothetical protein 0.0051 0.1563 0.1563
Loa Loa (eye worm) acetylcholinesterase 1 0.0044 0.1291 0.1291
Loa Loa (eye worm) acetyltransferase 0.0146 0.504 0.504
Leishmania major sterol C-24 reductase, putative 0.0029 0.0759 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.1271 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1386 0.275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1386 0.275
Trypanosoma cruzi sterol C-24 reductase, putative 0.0029 0.0759 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.4099 0.4099
Brugia malayi CD36 family protein 0.0135 0.4632 0.9191
Trypanosoma cruzi C-14 sterol reductase, putative 0.0029 0.0759 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0142 0.489 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.4632 0.4632
Loa Loa (eye worm) hypothetical protein 0.0024 0.0589 0.0589
Echinococcus multilocularis acetylcholinesterase 0.0044 0.1291 0.2562
Schistosoma mansoni hypothetical protein 0.0011 0.0099 0.0196
Echinococcus granulosus CD36 class B scavenger receptor 0.0135 0.4632 0.9473
Echinococcus multilocularis CD36 class B scavenger receptor 0.0135 0.4632 0.9191
Echinococcus granulosus acetylcholinesterase 0.0044 0.1291 0.264
Loa Loa (eye worm) carboxylesterase 0.0044 0.1291 0.1291
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1386 0.275
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1386 0.1386
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0099 0.0196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1386 0.275
Echinococcus granulosus lamin b receptor 0.0029 0.0759 0.1552
Brugia malayi hypothetical protein 0.0051 0.1563 0.3101
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0044 0.1291 0.2562
Loa Loa (eye worm) hypothetical protein 0.0044 0.1291 0.1291
Echinococcus granulosus CD36 class B scavenger receptor 0.0135 0.4632 0.9473
Trypanosoma brucei C-14 sterol reductase, putative 0.0029 0.0759 1
Brugia malayi hypothetical protein 0.0024 0.0589 0.1169
Giardia lamblia Histone acetyltransferase GCN5 0.0039 0.114 0.5
Echinococcus granulosus carboxylesterase 5A 0.0044 0.1291 0.264
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.1271 0.5
Echinococcus granulosus lysosome membrane protein 2 0.0135 0.4632 0.9473
Brugia malayi Carboxylesterase family protein 0.0044 0.1291 0.2562
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1386 0.275
Entamoeba histolytica acetyltransferase, GNAT family 0.0039 0.114 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.1271 1
Trypanosoma cruzi C-14 sterol reductase, putative 0.0029 0.0759 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0135 0.4632 0.9191
Brugia malayi hypothetical protein 0.0016 0.0274 0.0544
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0146 0.504 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1386 0.2834
Brugia malayi Carboxylesterase family protein 0.0044 0.1291 0.2562
Schistosoma mansoni CD36-like class B scavenger receptor 0.0135 0.4632 0.9191
Echinococcus multilocularis lamin b receptor 0.0029 0.0759 0.1505
Brugia malayi hypothetical protein 0.0051 0.1563 0.3101
Schistosoma mansoni Lamin B receptor (ERG24) 0.0029 0.0759 0.1505
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0135 0.4632 0.5
Schistosoma mansoni CD36-like class B scavenger receptor 0.0135 0.4632 0.9191
Loa Loa (eye worm) hypothetical protein 0.0051 0.1563 0.1563
Echinococcus granulosus acetylcholinesterase 0.0044 0.1291 0.264
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.1271 1
Brugia malayi acetyltransferase, GNAT family protein 0.0146 0.504 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 nM Inhibition of human SRB1-mediated Hepatitis C virus genotype 2a entry into human HuH7.5 cells by luciferase reporter gene assay ChEMBL. 22784640

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.