Detailed information for compound 576945

Basic information

Technical information
  • TDR Targets ID: 576945
  • Name: (3aS,4S,6aR)-4-(5-hydroxy-5-oxo-pentyl)-2-oxo -3a,4,6,6a-tetrahydro-3H-thieno[3,4-d]imidazo le-1-carboxylic acid
  • MW: 288.32 | Formula: C11H16N2O5S
  • H donors: 3 H acceptors: 5 LogP: 0.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2C(=O)O
  • InChi: 1S/C11H16N2O5S/c14-8(15)4-2-1-3-7-9-6(5-19-7)13(11(17)18)10(16)12-9/h6-7,9H,1-5H2,(H,12,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
  • InChiKey: WGIRSTDPYSLVEB-ZKWXMUAHSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3aS,4S,6aR)-4-(5-hydroxy-5-oxopentyl)-2-oxo-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d]imidazole-1-carboxylic acid
  • (3aS,4S,6aR)-4-(5-hydroxy-5-keto-pentyl)-2-keto-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d]imidazole-1-carboxylic acid
  • N1'-carboxybiotin
  • 6706-15-6
  • 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, 1-carboxyhexahydro-2-oxo-, (3aS-(3aalpha,4beta,6aalpha))-
  • Carboxybiotin

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 falciparum glutathione reductase 0.0047 0.0627 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0291 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0291 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus granulosus caspase 2 0.0057 0.1015 0.1861
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0038 0.0299 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus granulosus sentrin specific protease 7 0.0173 0.5456 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.1015 0.4329
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2945 0.6344
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0142 0.428 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Schistosoma mansoni caspase-3 (C14 family) 0.0099 0.2616 0.4794
Echinococcus granulosus sentrin specific protease 8 0.0092 0.2346 0.4299
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0092 0.2346 0.211
Brugia malayi Thioredoxin reductase 0.0047 0.0627 0.2673
Schistosoma mansoni SET domain protein 0.0033 0.0072 0.0131
Echinococcus multilocularis caspase 0.0099 0.2616 0.4794
Leishmania major trypanothione reductase 0.0047 0.0627 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0299 0.1273
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0092 0.2346 0.4299
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0299 0.1273
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.3405 0.7604
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0099 0.2616 0.4794
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0092 0.2346 0.211
Echinococcus multilocularis expressed conserved protein 0.0134 0.3976 0.7286
Loa Loa (eye worm) hypothetical protein 0.0038 0.0299 0.1273
Echinococcus multilocularis sentrin specific protease 1 0.0038 0.0299 0.0547
Echinococcus multilocularis caspase 3 0.0072 0.16 0.2932
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2945 0.6344
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0142 0.428 0.5
Echinococcus granulosus sentrin specific protease 1 0.0038 0.0299 0.0547
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2945 0.6344
Onchocerca volvulus Cell death protein 3 homolog 0.0057 0.1015 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0142 0.428 1
Schistosoma mansoni caspase-7 (C14 family) 0.0057 0.1015 0.1861
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0038 0.0299 0.0547
Echinococcus granulosus caspase 0.0099 0.2616 0.4794
Echinococcus granulosus caspase 3 0.0072 0.16 0.2932
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0038 0.0299 0.5
Echinococcus multilocularis caspase 2 0.0057 0.1015 0.1861
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Echinococcus granulosus histone lysine N methyltransferase NSD3 0.0033 0.0072 0.0131
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0173 0.5456 0.5316
Trypanosoma brucei trypanothione reductase 0.0047 0.0627 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0092 0.2346 0.211
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0627 0.1149
Brugia malayi glutathione reductase 0.0047 0.0627 0.2673
Toxoplasma gondii thioredoxin reductase 0.0047 0.0627 1
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.0627 0.1604
Echinococcus granulosus expressed conserved protein 0.0134 0.3976 0.7286
Echinococcus multilocularis sentrin specific protease 8 0.0092 0.2346 0.4299
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.3405 0.3447
Loa Loa (eye worm) Ulp1 protease 0.0092 0.2346 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0291 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0627 1
Trypanosoma cruzi hypothetical protein 0.0092 0.2346 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0291 1 1
Loa Loa (eye worm) glutathione reductase 0.0047 0.0627 0.2673
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.3405 0.7604
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0092 0.2346 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2945 0.6344
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.3405 0.7604
Loa Loa (eye worm) hypothetical protein 0.0038 0.0299 0.1273
Plasmodium falciparum thioredoxin reductase 0.0047 0.0627 1
Brugia malayi Cell death protein 3 precursor 0.0057 0.1015 0.4329
Echinococcus multilocularis histone lysine N methyltransferase NSD3 0.0033 0.0072 0.0131
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0092 0.2346 0.211
Onchocerca volvulus 0.0038 0.0299 0.294
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2945 0.6344
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0299 0.1273
Trichomonas vaginalis Sentrin-specific protease, putative 0.0092 0.2346 0.211
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0038 0.0299 0.1273
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0627 0.2673
Loa Loa (eye worm) Ulp1 protease 0.0038 0.0299 0.1273
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0627 0.1149
Schistosoma mansoni caspase-7 (C14 family) 0.0099 0.2616 0.4794
Mycobacterium tuberculosis Probable reductase 0.0107 0.2945 0.6344
Echinococcus multilocularis sentrin specific protease 7 0.0173 0.5456 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0173 0.5456 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0038 0.0299 0.0547
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0099 0.2616 0.4794
Plasmodium vivax glutathione reductase, putative 0.0047 0.0627 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.
 
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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