Detailed information for compound 565077

Basic information

Technical information
  • TDR Targets ID: 565077
  • Name: ethyl (2S)-2-(dodecanoylamino)-5-guanidino-pe ntanoate
  • MW: 384.557 | Formula: C20H40N4O3
  • H donors: 3 H acceptors: 2 LogP: 4.19 Rotable bonds: 19
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC(=O)N[C@H](C(=O)OCC)CCCN=C(N)N
  • InChi: 1S/C20H40N4O3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23)/t17-/m0/s1
  • InChiKey: XJTMYVOVQZMMKX-KRWDZBQOSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2S)-5-guanidino-2-(1-oxododecylamino)pentanoic acid ethyl ester
  • ethyl (2S)-5-[bis(azanyl)methylideneamino]-2-(dodecanoylamino)pentanoate
  • (2S)-5-guanidino-2-(lauroylamino)valeric acid ethyl ester
  • ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate
  • N(alpha)-lauroylarginine ethyl ester
  • 48076-74-0
  • N-(alpha)-Cae
  • N-(alpha)-Lae
  • N-(alpha)-Lauroyl-L-arginine ethyl ester, DL-pyroglutamic acid salt
  • Nacaee
  • L-Arginine, N2-(1-oxododecyl)-, ethyl ester
  • N(alpha)-Cocoyl-L-arginine ethyl ester
  • N(alpha)-Cocoylarginine ethyl ester
  • N(alpha)-Cocylarginine ethyl ester
  • N(alpha)-Lauroyl-arginine ethyl ester

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 matrix metallopeptidase 7 (M10 family) 0.0124 0.1018 0.1018
Brugia malayi glutathione reductase 0.0092 0.0541 0.0144
Loa Loa (eye worm) matrixin family protein 0.0083 0.0405 0.0226
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.028 0.3306 0.3306
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.028 0.3306 0.3306
Echinococcus granulosus thioredoxin glutathione reductase 0.0092 0.0541 0.0541
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.01 0.0652 0.1676
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.028 0.3306 0.3306
Brugia malayi Latrophilin receptor protein 2 0.0228 0.2549 0.2279
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0093 0.0559 0.0163
Brugia malayi Integrin beta pat-3 precursor 0.0252 0.2901 0.2653
Loa Loa (eye worm) hypothetical protein 0.0722 0.9811 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.0735 1 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.01 0.0652 0.0927
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0125 0.1031 0.5
Loa Loa (eye worm) matrixin family protein 0.0076 0.0304 0.0121
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.028 0.3306 1
Loa Loa (eye worm) thioredoxin reductase 0.0092 0.0541 0.0367
Mycobacterium ulcerans pyruvate carboxylase 0.028 0.3306 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.028 0.3306 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.028 0.3306 1
Schistosoma mansoni pyruvate carboxylase 0.028 0.3306 0.3306
Brugia malayi latrophilin 2 splice variant baaae 0.0493 0.645 0.6426
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0228 0.2549 0.2549
Onchocerca volvulus Matrilysin homolog 0.0076 0.0304 0.5
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.0709 0.9621 0.9803
Schistosoma mansoni hypothetical protein 0.0228 0.2549 0.2549
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.01 0.0652 0.0541
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.01 0.0652 0.0652
Loa Loa (eye worm) integrin alpha pat-2 0.019 0.1982 0.1865
Plasmodium vivax thioredoxin reductase, putative 0.0092 0.0541 0.0613
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.028 0.3306 1
Onchocerca volvulus Matrix metalloproteinase homolog 0.0076 0.0304 0.5
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.028 0.3306 0.3226
Loa Loa (eye worm) glutathione reductase 0.0092 0.0541 0.0367
Chlamydia trachomatis biotin carboxylase 0.0254 0.2927 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0228 0.2549 0.2549
Echinococcus multilocularis integrin beta 2 0.0187 0.1938 0.1938
Schistosoma mansoni aspartate carbamoyltransferase 0.0063 0.0118 0.0118
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0125 0.1031 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0611 0.044
Leishmania major carboxylase, putative 0.028 0.3306 0.3226
Echinococcus multilocularis integrin alpha 3 0.0094 0.0577 0.0577
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0063 0.0118 0.0118
Echinococcus granulosus GPCR family 2 0.0228 0.2549 0.2549
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0722 0.9811 1
Schistosoma mansoni hypothetical protein 0.0493 0.645 0.645
Echinococcus multilocularis thioredoxin glutathione reductase 0.0092 0.0541 0.0541
Trypanosoma brucei acetyl-CoA carboxylase 0.0735 1 1
Echinococcus granulosus integrin alpha 3 0.0094 0.0577 0.0577
Schistosoma mansoni hypothetical protein 0.0228 0.2549 0.2549
Plasmodium falciparum thioredoxin reductase 0.0092 0.0541 0.0613
Leishmania major acetyl-CoA carboxylase, putative 0.0735 1 1
Schistosoma mansoni acetyl-CoA carboxylase 0.0735 1 1
Plasmodium falciparum glutathione reductase 0.0092 0.0541 0.0613
Trypanosoma cruzi trypanothione reductase, putative 0.0092 0.0541 0.0733
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.028 0.3306 0.5531
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0532 0.7012 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.01 0.0652 0.1676
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.028 0.3306 1
Schistosoma mansoni integrin beta subunit 0.0149 0.1374 0.1374
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0228 0.2549 0.2279
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0124 0.1018 0.1018
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0228 0.2549 0.2549
Echinococcus multilocularis GPCR, family 2 0.0228 0.2549 0.2549
Brugia malayi Thioredoxin reductase 0.0092 0.0541 0.0144
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.0532 0.7012 1
Toxoplasma gondii pyruvate carboxylase 0.028 0.3306 0.3226
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.01 0.0652 0.0652
Schistosoma mansoni hypothetical protein 0.0228 0.2549 0.2549
Plasmodium vivax glutathione reductase, putative 0.0092 0.0541 0.0613
Leishmania major trypanothione reductase 0.0092 0.0541 0.0427
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.028 0.3306 0.3226
Schistosoma mansoni integrin alpha 0.0123 0.1 0.1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.01 0.0652 0.1676
Loa Loa (eye worm) hypothetical protein 0.0093 0.0559 0.0386
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.0735 1 1
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.01 0.0652 0.1676
Loa Loa (eye worm) integrin beta-2 0.0252 0.2901 0.2819
Schistosoma mansoni hypothetical protein 0.0228 0.2549 0.2549
Loa Loa (eye worm) hypothetical protein 0.0228 0.2549 0.2454
Loa Loa (eye worm) hypothetical protein 0.0493 0.645 0.6507
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.01 0.0652 0.1676
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.01 0.0652 0.1676
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0228 0.2549 0.2549
Brugia malayi Calcitonin receptor-like protein seb-1 0.0722 0.9811 1
Brugia malayi Integrin alpha pat-2 precursor 0.0123 0.1 0.0633
Echinococcus granulosus integrin beta 2 0.0187 0.1938 0.1938
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.01 0.0652 0.1676
Loa Loa (eye worm) latrophilin receptor protein 2 0.0228 0.2549 0.2454
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.028 0.3306 1
Trypanosoma brucei trypanothione reductase 0.0092 0.0541 0.0427
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.01 0.0652 0.0405
Brugia malayi Carboxyl transferase domain containing protein 0.0709 0.9621 0.9798
Toxoplasma gondii thioredoxin reductase 0.0092 0.0541 0.0427
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.028 0.3306 0.3226
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.01 0.0652 0.0652
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.028 0.3306 0.3306
Leishmania major propionyl-coa carboxylase beta chain, putative 0.01 0.0652 0.0541
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.028 0.3306 0.5531
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0063 0.0118 0.0118
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.01 0.0652 0.0405
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.01 0.0652 0.0927
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.028 0.3306 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0722 0.9811 1
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.01 0.0652 0.0541
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.01 0.0652 0.0541
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.01 0.0652 0.0927
Trypanosoma brucei unspecified product 0.0184 0.1895 0.1798
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.0735 1 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.0455 0.5881 1

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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