Detailed information for compound 1844071

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.4 | Formula: C20H24O7
  • H donors: 2 H acceptors: 4 LogP: 0.81 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1CC2C(=O)OC[C@]32[C@H](C1)[C@@]1(C[C@H](OC1=O)c1ccoc1)[C@@H](C[C@H]3O)C
  • InChi: 1S/C20H24O7/c1-10-4-16(22)20-9-26-17(23)13(20)5-12(21)6-15(20)19(10)7-14(27-18(19)24)11-2-3-25-8-11/h2-3,8,10,12-16,21-22H,4-7,9H2,1H3/t10-,12-,13?,14+,15-,16-,19-,20+/m1/s1
  • InChiKey: UOZUIVKIXLXTEP-QCXQQDLDSA-N  


Substructure search Similarity search

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
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.0791 0.3692 0.3683
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0791 0.3692 0.3683
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.0791 0.3692 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0106 0.0332 0.0167
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0281 0.1192 0.3233
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0179 0.0688 0.1125
Plasmodium falciparum carbamoyl phosphate synthetase 0.0179 0.0688 0.0742
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0179 0.0688 0.0675
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1502 0.7185 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.2076 1 1
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0281 0.1192 0.1041
Leishmania major mitochondrial DNA polymerase beta 0.0224 0.0912 0.0757
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0179 0.0688 0.1476
Echinococcus granulosus Biotin lipoyl attachment 0.0073 0.0168 0.0154
Treponema pallidum pyruvate carboxylase subunit B 0.0073 0.0168 0.5
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0281 0.1192 0.2905
Mycobacterium ulcerans pyruvate carboxylase 0.0791 0.3692 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0118 0.0391 0.0633
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.0791 0.3692 1
Trypanosoma brucei acetyl-CoA carboxylase 0.2076 1 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0281 0.1192 0.2905
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.0791 0.3692 0.3683
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.0791 0.3692 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0281 0.1192 0.2905
Trypanosoma brucei unspecified product 0.052 0.2363 0.2232
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0281 0.1192 0.1041
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.0791 0.3692 0.3584
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0281 0.1192 0.1948
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0224 0.0912 0.0757
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0224 0.0912 0.1491
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0106 0.0332 0.0543
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0106 0.0332 0.0167
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.0791 0.3692 0.3683
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0073 0.0168 0.0275
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0281 0.1192 0.2905
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0073 0.0168 0.0275
Brugia malayi Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor 0.0073 0.0168 0.0159
Echinococcus multilocularis myosin light chain kinase, smooth muscle 0.0222 0.0901 0.0888
Brugia malayi dihydrolipoamide S-acetyltransferase precursor, putative 0.0073 0.0168 0.0159
Mycobacterium ulcerans hypothetical protein 0.0118 0.0391 0.0633
Chlamydia trachomatis biotin carboxylase 0.0718 0.3335 1
Schistosoma mansoni pyruvate carboxylase 0.0791 0.3692 0.3683
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0791 0.3692 0.6034
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0179 0.0688 0.1476
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2003 0.9643 1
Leishmania major carboxylase, putative 0.0791 0.3692 0.3584
Trypanosoma cruzi acetyl-CoA carboxylase 0.1285 0.6119 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.0791 0.3692 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.0791 0.3692 1
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0281 0.1192 0.2905
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.2076 1 1
Brugia malayi Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta 0.0073 0.0168 0.0159
Echinococcus multilocularis Biotin lipoyl attachment 0.0073 0.0168 0.0154
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0281 0.1192 0.2905
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0179 0.0688 0.1125
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0281 0.1192 0.1041
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0281 0.1192 0.1948
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0791 0.3692 0.3584
Leishmania major acetyl-CoA carboxylase, putative 0.2076 1 1
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0281 0.1192 0.2905
Trypanosoma cruzi dihydrolipoamide branched chain transacylase, putative 0.0073 0.0168 0.0275
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0354 0.1549 0.5
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0281 0.1192 0.1179
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0281 0.1192 0.2905
Toxoplasma gondii carbamoylphosphate synthetase 0.0179 0.0688 0.0529
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0281 0.1192 0.1041
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.0791 0.3692 0.6034
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0281 0.1192 0.2905
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0281 0.1192 0.2905
Schistosoma mansoni acetyl-CoA carboxylase 0.2076 1 1
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0073 0.0168 0.0154
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0073 0.0168 0.0154
Schistosoma mansoni aspartate carbamoyltransferase 0.0179 0.0688 0.0675
Toxoplasma gondii pyruvate carboxylase 0.0791 0.3692 0.3584
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0073 0.0168 0.0154
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.0791 0.3692 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0281 0.1192 0.1179
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0073 0.0168 0.0275
Echinococcus granulosus myosin light chain kinase smooth muscle 0.0222 0.0901 0.0888
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0073 0.0168 0.0154
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0281 0.1192 0.1948
Trypanosoma cruzi 2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative 0.0073 0.0168 0.0275
Brugia malayi Carboxyl transferase domain containing protein 0.2003 0.9643 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.0791 0.3692 1
Echinococcus multilocularis serine:threonine protein kinase 0.0222 0.0901 0.0888
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0224 0.0912 0.1491
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0179 0.0688 0.0529
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0073 0.0168 0.0154
Trypanosoma cruzi dihydrolipoamide acetyltransferase, putative 0.0073 0.0168 0.0275
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0281 0.1192 0.2905
Echinococcus granulosus serine:threonine protein kinase 0.0222 0.0901 0.0888
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.0791 0.3692 0.3584
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0073 0.0168 0.0154
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0073 0.0168 0.0154
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0179 0.0688 0.0675
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0281 0.1192 0.1179
Leishmania major carbamoyl-phosphate synthase, putative 0.0179 0.0688 0.0529
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0179 0.0688 0.0742
Trypanosoma cruzi dihydrolipoamide acetyltransferase precursor, putative 0.0073 0.0168 0.0275
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.1502 0.7185 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0281 0.1192 0.2905
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.2076 1 1
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0354 0.1549 1
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0073 0.0168 0.0154

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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