Detailed information for compound 1558363

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 629.723 | Formula: C31H44FN7O6
  • H donors: 4 H acceptors: 6 LogP: 1.79 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 2
  • SMILES: NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)c1noc2c1ccc(c2)F)C(C)C)C(C)C
  • InChi: 1S/C31H44FN7O6/c1-17(2)26(35-24(40)15-33)29(42)34-16-25(41)36-27(18(3)4)31(44)39-11-5-6-22(39)30(43)38-12-9-19(10-13-38)28-21-8-7-20(32)14-23(21)45-37-28/h7-8,14,17-19,22,26-27H,5-6,9-13,15-16,33H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22-,26-,27-/m0/s1
  • InChiKey: SCTXCONQPAACGL-CAVYSCNFSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0417 0.0437
Plasmodium falciparum enoyl-acyl carrier reductase 0.0181 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1254 0.4261
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2944 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0417 0.0437
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2944 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.2111 0.7171
Schistosoma mansoni hypothetical protein 0.0033 0.023 0.0241
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0074 0.2944 0.3085
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0777 0.0814
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0417 0.0437
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0181 1 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0181 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.023 0.0782
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0777 0.0814
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0417 0.1417
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0074 0.2944 1
Giardia lamblia PHD finger protein 15 0.003 0 0.5
Onchocerca volvulus Alhambra homolog 0.003 0 0.5
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0074 0.2944 0.6526
Schistosoma mansoni hypothetical protein 0.0174 0.9541 1
Echinococcus granulosus geminin 0.0174 0.9541 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.4511 0.4728
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.4511 0.4728
Brugia malayi jmjC domain containing protein 0.0036 0.0417 0.0925
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1254 0.278
Schistosoma mansoni jumonji domain containing protein 0.0078 0.3176 0.3329
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0181 1 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0181 1 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0181 1 1
Trichomonas vaginalis hypothetical protein 0.0181 1 0.5
Echinococcus multilocularis geminin 0.0174 0.9541 1
Echinococcus granulosus transcription factor Dp 1 0.0043 0.0869 0.0911
Echinococcus multilocularis transcription factor Dp 1 0.0043 0.0869 0.0911
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0181 1 0.5
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0074 0.2944 0.3085
Loa Loa (eye worm) hypothetical protein 0.0049 0.1254 0.4261
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0074 0.2944 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0074 0.2944 0.5
Brugia malayi jmjC domain containing protein 0.0098 0.4511 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.023 0.051
Loa Loa (eye worm) hypothetical protein 0.0051 0.1416 0.4812
Schistosoma mansoni hypothetical protein 0.0174 0.9541 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0074 0.2944 0.3085
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0417 0.0437
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0074 0.2944 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1254 0.278

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.

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