Detailed information for compound 1827092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.398 | Formula: C20H21N3O4
  • H donors: 4 H acceptors: 4 LogP: 1.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)[C@@H]1N[C@@H](c2c(CO)cnc(c2O)C)c2c(C1)c1ccccc1[nH]2
  • InChi: 1S/C20H21N3O4/c1-10-19(25)16(11(9-24)8-21-10)18-17-13(7-15(23-18)20(26)27-2)12-5-3-4-6-14(12)22-17/h3-6,8,15,18,22-25H,7,9H2,1-2H3/t15-,18+/m1/s1
  • InChiKey: ZZVQEOVUTFYSIH-QAPCUYQASA-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
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.6091 0.6864 1
Echinococcus granulosus mitogen activated protein kinase 3 0.2687 0.251 0.2276
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1141 0.0532 0.0541
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1141 0.0532 0.0927
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3206 0.3174 0.5531
Schistosoma mansoni memapsin-2 (A01 family) 0.3607 0.3688 0.3748
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.3206 0.3174 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.8122 0.9463 0.9792
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.3206 0.3174 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.1141 0.0532 0.0236
Trypanosoma brucei acetyl-CoA carboxylase 0.8416 0.984 1
Brugia malayi MAP kinase sur-1 0.2687 0.251 0.2276
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3206 0.3174 0.3226
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.3206 0.3174 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.2687 0.251 0.2276
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2687 0.251 0.4375
Leishmania major propionyl-coa carboxylase beta chain, putative 0.1141 0.0532 0.0541
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.2687 0.251 0.2551
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0962 0.0303 0.0308
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.8416 0.984 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.6091 0.6864 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.8542 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.2687 0.251 0.2551
Trypanosoma cruzi acetyl-CoA carboxylase 0.5211 0.5739 1
Loa Loa (eye worm) hypothetical protein 0.758 0.877 0.9051
Giardia lamblia Kinase, CMGC MAPK 0.2687 0.251 1
Mycobacterium ulcerans pyruvate carboxylase 0.3206 0.3174 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0962 0.0303 0.0529
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.1141 0.0532 0.0541
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.1141 0.0532 0.1676
Leishmania major acetyl-CoA carboxylase, putative 0.8416 0.984 1
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.8416 0.984 0.9835
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.1141 0.0532 0.1676
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.1141 0.0532 0.0236
Schistosoma mansoni serine/threonine protein kinase 0.2687 0.251 0.2551
Chlamydia trachomatis biotin carboxylase 0.2911 0.2797 1
Echinococcus granulosus macrophage colony stimulating factor 1 receptor 0.2161 0.1838 0.1582
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.3206 0.3174 1
Schistosoma mansoni pyruvate carboxylase 0.3206 0.3174 0.3226
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0962 0.0303 0.0308
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.8416 0.984 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.3206 0.3174 0.3226
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.3206 0.3174 0.2961
Brugia malayi Carboxyl transferase domain containing protein 0.8122 0.9463 0.9446
Trichomonas vaginalis CMGC family protein kinase 0.2687 0.251 1
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.3206 0.3174 1
Trichomonas vaginalis CMGC family protein kinase 0.2687 0.251 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.3206 0.3174 0.2961
Entamoeba histolytica acetyl-coA carboxylase, putative 0.1435 0.0909 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0962 0.0303 0.0529
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0962 0.0303 0.0308
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.2687 0.251 0.4375
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.2687 0.251 0.2551
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.2687 0.251 0.2359
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3206 0.3174 0.3226
Echinococcus granulosus acetyl coenzyme A carboxylase 1 0.8416 0.984 0.9835
Trypanosoma brucei unspecified product 0.2108 0.1769 0.1798
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.1141 0.0532 0.1676
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.1141 0.0532 0.1676
Trichomonas vaginalis CMGC family protein kinase 0.2687 0.251 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.3206 0.3174 0.3226
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.1141 0.0532 0.1676
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.1141 0.0532 0.1676
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.1141 0.0532 0.1676
Trichomonas vaginalis CMGC family protein kinase 0.2687 0.251 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1141 0.0532 0.0927
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0962 0.0303 0.0308
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.3206 0.3174 0.5531
Loa Loa (eye worm) hypothetical protein 0.8274 0.9657 1
Echinococcus multilocularis mitogen activated protein kinase 0.2687 0.251 0.2276
Schistosoma mansoni acetyl-CoA carboxylase 0.8416 0.984 1
Leishmania major carboxylase, putative 0.3206 0.3174 0.3226
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.1141 0.0532 0.0541
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.2687 0.251 0.2551
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.2687 0.251 0.4375
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.2687 0.251 0.4375
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.3206 0.3174 0.3226
Echinococcus granulosus mitogen activated protein kinase 0.2687 0.251 0.2276
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.3206 0.3174 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0962 0.0303 0.0529
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.8542 1 1
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.1141 0.0532 0.0927
Toxoplasma gondii pyruvate carboxylase 0.3206 0.3174 0.3226
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.3206 0.3174 1
Trypanosoma brucei protein kinase, putative 0.2687 0.251 0.2551
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.1141 0.0532 0.0541

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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