Detailed information for compound 1565874

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 675.042 | Formula: C34H38Cl3N3O5
  • H donors: 1 H acceptors: 2 LogP: 6.62 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCCc1ccc(c(c1)CN(C(=O)[C@H]1CNCC(=O)N1c1ccc(cc1)OCCOc1c(Cl)cc(cc1Cl)C)C1CC1)Cl
  • InChi: 1S/C34H38Cl3N3O5/c1-22-16-29(36)33(30(37)17-22)45-15-14-44-27-10-8-26(9-11-27)40-31(19-38-20-32(40)41)34(42)39(25-6-7-25)21-24-18-23(4-3-13-43-2)5-12-28(24)35/h5,8-12,16-18,25,31,38H,3-4,6-7,13-15,19-21H2,1-2H3/t31-/m1/s1
  • InChiKey: OINORTIDHWOEEO-WJOKGBTCSA-N  

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
Brugia malayi Muscle positioning protein 4 0.0053 0.0363 0.0143
Echinococcus multilocularis enteropeptidase 0.014 0.2661 0.7679
Echinococcus granulosus enteropeptidase 0.014 0.2661 0.7679
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0407 0.9669 0.9661
Echinococcus granulosus tissue type plasminogen activator 0.0166 0.3344 1
Chlamydia trachomatis glutamine binding protein 0.0039 0 0.5
Onchocerca volvulus 0.0053 0.0363 0.0143
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.014 0.2661 0.2489
Plasmodium falciparum cysteine repeat modular protein 1 0.0166 0.3344 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.2661 0.2577
Leishmania major hypothetical protein, conserved 0.0166 0.3344 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0166 0.3344 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0363 0.0143
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0039 0 0.5
Echinococcus multilocularis glycoprotein Antigen 5 0.014 0.2661 0.7679
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni hypothetical protein 0.014 0.2661 0.2489
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Onchocerca volvulus 0.0166 0.3344 0.3301
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0039 0 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0166 0.3344 0.3301
Brugia malayi Protein kinase domain containing protein 0.0166 0.3344 0.3301
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.014 0.2661 0.2577
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0166 0.3344 0.5
Brugia malayi Trypsin family protein 0.014 0.2661 0.2577
Toxoplasma gondii kringle domain-containing protein 0.0166 0.3344 0.5
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.014 0.2661 0.7679
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Brugia malayi Trypsin-like protease protein 5 0.014 0.2661 0.2577
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.014 0.2661 0.2489
Loa Loa (eye worm) trypsin family protein 0.014 0.2661 0.2577
Brugia malayi Trypsin family protein 0.014 0.2661 0.2577
Brugia malayi hypothetical protein 0.014 0.2661 0.2577
Loa Loa (eye worm) hypothetical protein 0.0166 0.3344 0.3301
Echinococcus multilocularis tissue type plasminogen activator 0.0166 0.3344 1
Onchocerca volvulus 0.0407 0.9669 1
Onchocerca volvulus 0.014 0.2661 0.2577
Brugia malayi Kringle domain containing protein 0.0166 0.3344 0.3301
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.014 0.2661 0.7679
Loa Loa (eye worm) hypothetical protein 0.014 0.2661 0.2577
Loa Loa (eye worm) hypothetical protein 0.014 0.2661 0.2577
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0144 0.2764 0.2595
Onchocerca volvulus 0.014 0.2661 0.2577
Loa Loa (eye worm) hypothetical protein 0.0407 0.9669 1
Echinococcus granulosus transmembrane protease serine 3 0.014 0.2661 0.7679
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0039 0 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.2661 0.2577
Mycobacterium ulcerans hypothetical protein 0.014 0.2661 1
Loa Loa (eye worm) hypothetical protein 0.014 0.2661 0.2577
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Onchocerca volvulus 0.014 0.2661 0.2577
Echinococcus granulosus glycoprotein Antigen 5 0.014 0.2661 0.7679
Schistosoma mansoni hypothetical protein 0.014 0.2661 0.2489
Onchocerca volvulus 0.014 0.2661 0.2577
Brugia malayi Trypsin family protein 0.014 0.2661 0.2577
Onchocerca volvulus 0.014 0.2661 0.2577
Loa Loa (eye worm) hypothetical protein 0.0407 0.9669 1
Echinococcus multilocularis transmembrane protease serine 3 0.014 0.2661 0.7679
Onchocerca volvulus 0.0267 0.5986 0.6099
Echinococcus granulosus Mastin 0.014 0.2661 0.7679
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0039 0 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.014 0.2661 0.2489
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Schistosoma mansoni cercarial elastase (S01 family) 0.014 0.2661 0.2489
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.014 0.2661 0.7679
Echinococcus multilocularis Mastin 0.014 0.2661 0.7679
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.014 0.2661 0.2489
Brugia malayi Trypsin family protein 0.0407 0.9669 1
Schistosoma mansoni hypothetical protein 0.0166 0.3344 0.3189
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.014 0.2661 0.7679

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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