Detailed information for compound 814346

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.481 | Formula: C19H30N6O2
  • H donors: 2 H acceptors: 4 LogP: 0.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(N1)C(=O)NCc1nnc2n1CCN(CC2)CC1CCCCC1
  • InChi: 1S/C19H30N6O2/c26-18-7-6-15(21-18)19(27)20-12-17-23-22-16-8-9-24(10-11-25(16)17)13-14-4-2-1-3-5-14/h14-15H,1-13H2,(H,20,27)(H,21,26)
  • InChiKey: DGJXJZHNUIZFFV-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

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 CDC72 0.0187 0.0818 0.5
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.1165
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0187 0.0818 0.0734
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0094 0.0091 0.0343
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.0388 0.2403 1
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.03
Brugia malayi Membrane-bound transcription factor site-1 protease precursor 0.0094 0.0091 0.0343
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0132 0.0388 0.1287
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0139 0.0445 0.1534
Toxoplasma gondii subtilisin SUB1 0.1352 1 1
Trypanosoma brucei N-myristoyltransferase 0.0187 0.0818 0.2847
Schistosoma mansoni N-myristoyltransferase 0.0187 0.0818 0.3092
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0132 0.0388 0.1468
Echinococcus multilocularis 0.0094 0.0091 0.0343
Loa Loa (eye worm) hypothetical protein 0.0094 0.0091 0.0343
Echinococcus granulosus neuroendocrine convertase 2 0.0094 0.0091 0.0343
Trypanosoma cruzi N-myristoyl transferase, putative 0.0187 0.0818 0.2847
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0419 0.2646 1
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.0419 0.2646 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.1165
Brugia malayi endoprotease bli-4 precursor 0.0094 0.0091 0.0343
Echinococcus multilocularis membrane bound transcription factor site 1 0.0094 0.0091 0.0343
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.0419 0.2646 1
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0132 0.0388 0.1468
Trichomonas vaginalis N-myristoyl transferase, putative 0.0123 0.0314 0.0963
Brugia malayi Subtilase family protein 0.0094 0.0091 0.0343
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0187 0.0818 0.5
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0094 0.0091 0.0343
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0132 0.0388 0.1165
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0187 0.0818 0.0734
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0094 0.0091 0.0343
Schistosoma mansoni site-1 peptidase (S08 family) 0.0094 0.0091 0.0343
Loa Loa (eye worm) subtilase 0.0094 0.0091 0.0343
Brugia malayi ribonucleotide reductase 2 0.0132 0.0388 0.1468
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0132 0.0388 0.1165
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.1165
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.0419 0.2646 0.2579
Loa Loa (eye worm) N-myristoyltransferase 2 0.0187 0.0818 0.3092
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.0419 0.2646 1
Echinococcus granulosus Furin 1 0.0094 0.0091 0.0343
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.0419 0.2646 0.2579
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.0419 0.2646 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.1165
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0094 0.0091 0.0343
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0132 0.0388 0.1468
Brugia malayi neuroendocrine convertase 1 precursor 0.0094 0.0091 0.0343
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.0388 0.2403 1
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.0419 0.2646 1
Echinococcus granulosus furin 0.0094 0.0091 0.0343
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0094 0.0091 0.0343
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0094 0.0091 0.0343
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0187 0.0818 0.3092
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.0419 0.2646 0.2579
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0094 0.0091 0.0343
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.0419 0.2646 1
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.0419 0.2646 1
Trichomonas vaginalis N-myristoyl transferase, putative 0.0187 0.0818 0.3147
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.0388 0.2403 1
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.0388 0.2403 1
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.0419 0.2646 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0094 0.0091 0.0343
Echinococcus multilocularis Furin 1 0.0094 0.0091 0.0343
Loa Loa (eye worm) endoprotease bli-4 0.0094 0.0091 0.0343
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0132 0.0388 0.1165
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.03
Plasmodium vivax subtilisin-like protease 1 0.1352 1 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0094 0.0091 0.0343
Echinococcus granulosus membrane bound transcription factor site 1 0.0094 0.0091 0.0343
Brugia malayi N-myristoyltransferase 2 0.0187 0.0818 0.3092
Leishmania major N-myristoyl transferase, putative 0.0187 0.0818 0.2847
Trypanosoma cruzi N-myristoyl transferase, putative 0.0187 0.0818 0.2847
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0132 0.0388 0.1468
Trypanosoma brucei N-myristoyl transferase, putative 0.0187 0.0818 0.2847
Schistosoma mansoni furin-1 (S08 family) 0.0094 0.0091 0.0343
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0132 0.0388 0.1287
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.0388 0.2403 1
Onchocerca volvulus 0.0094 0.0091 0.5
Loa Loa (eye worm) proprotein convertase 2 0.0094 0.0091 0.0343
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0132 0.0388 0.03
Loa Loa (eye worm) hypothetical protein 0.0094 0.0091 0.0343
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0119 0.0284 0.0757
Echinococcus multilocularis neuroendocrine convertase 2 0.0094 0.0091 0.0343
Schistosoma mansoni site-1 peptidase (S08 family) 0.0094 0.0091 0.0343
Brugia malayi proprotein convertase 2 0.0094 0.0091 0.0343
Brugia malayi ribonucleoside-diphosphate reductase large chain, putative 0.0419 0.2646 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0132 0.0388 0.1165
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0187 0.0818 0.3092
Brugia malayi celfurPC protein 0.0094 0.0091 0.0343

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.