Detailed information for compound 1654284
Basic information
Technical information
- TDR Targets ID: 1654284
- Name: (3aR,6S,6aS)-6-(5-hydroxypentyl)-1,3,3a,4,6,6 a-hexahydrothieno[3,4-d]imidazol-2-one
- MW: 230.327 | Formula: C10H18N2O2S
-
H donors: 3
H acceptors: 2
LogP: 0.51
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: OCCCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
- InChi: 1S/C10H18N2O2S/c13-5-3-1-2-4-8-9-7(6-15-8)11-10(14)12-9/h7-9,13H,1-6H2,(H2,11,12,14)/t7-,8-,9-/m0/s1
- InChiKey: RGIKRHKHRAAZIO-CIUDSAMLSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | holocarboxylase synthetase (biotin-(proprionyl-CoA-carboxylase (ATP-hydrolysing)) ligase) | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0358 | 1 | 1 |
| Treponema pallidum | biotin--acetyl-CoA-carboxylase ligase | 0.0229 | 0.6106 | 0.5 |
| Brugia malayi | RNA, U transporter 1 | 0.0095 | 0.2061 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0033 | 0.0173 | 0.1379 |
| Echinococcus multilocularis | biotin protein ligase | 0.005 | 0.0701 | 0.0519 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Echinococcus multilocularis | N terminal of biotin protein ligase | 0.0069 | 0.1254 | 0.1083 |
| Trypanosoma cruzi | Biotin--acetyl-CoA-carboxylase ligase, putative | 0.005 | 0.0701 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.0259 | 0.0069 |
| Schistosoma mansoni | biotin-protein ligase | 0.0069 | 0.1254 | 0.1083 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.0259 | 0.0069 |
| Mycobacterium ulcerans | bifunctional protein BirA | 0.0214 | 0.5664 | 0.5 |
| Loa Loa (eye worm) | nucleolar RNA-associated protein alpha | 0.0358 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0033 | 0.0173 | 0.1379 |
| Loa Loa (eye worm) | biotin protein ligase 1 | 0.005 | 0.0701 | 0.0519 |
| Echinococcus granulosus | 5'partial|biotin protein ligase | 0.0036 | 0.0259 | 0.0069 |
| Trichomonas vaginalis | Importin beta-1 subunit, putative | 0.0027 | 0 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | biotin-(acetyl-CoA carboxylase) ligase | 0.005 | 0.0701 | 0.5 |
| Plasmodium falciparum | biotin protein ligase, putative | 0.005 | 0.0701 | 1 |
| Giardia lamblia | Hypothetical protein | 0.005 | 0.0701 | 0.5 |
| Trichomonas vaginalis | importin beta-1, putative | 0.0027 | 0 | 0.5 |
| Plasmodium vivax | biotin--[acetyl-CoA-carboxylase] synthetase, putative | 0.005 | 0.0701 | 1 |
| Mycobacterium leprae | POSSIBLE BIFUNCTIONAL PROTEIN BirA: BIOTIN OPERON REPRESSOR + BIOTIN--[ACETYL-COA-CARBOXYLASE] SYNTHETASE (BIOTIN--PROTEIN LIGAS | 0.0036 | 0.0259 | 0.5 |
| Echinococcus multilocularis | snurportin 1 | 0.0358 | 1 | 1 |
| Plasmodium falciparum | biotin--acetyl-CoA-carboxylase, putative | 0.005 | 0.0701 | 1 |
| Trypanosoma cruzi | Biotin--acetyl-CoA-carboxylase ligase, putative | 0.005 | 0.0701 | 1 |
| Toxoplasma gondii | HEAT repeat-containing protein | 0.0033 | 0.0192 | 0.5 |
| Echinococcus granulosus | N terminal of biotin protein ligase | 0.0069 | 0.1254 | 0.1083 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Brugia malayi | biotin--acetyl-CoA-carboxylase ligase family protein | 0.005 | 0.0701 | 0.2723 |
| Trichomonas vaginalis | Importin beta-1 subunit, putative | 0.0027 | 0 | 0.5 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Trypanosoma brucei | Biotin--acetyl-CoA-carboxylase ligase, putative | 0.005 | 0.0701 | 1 |
| Chlamydia trachomatis | hypothetical protein | 0.0069 | 0.1254 | 1 |
| Entamoeba histolytica | biotin--acetyl-CoA-carboxylase ligase, putative | 0.005 | 0.0701 | 0.5588 |
| Leishmania major | biotin/lipoate protein ligase-like protein | 0.005 | 0.0701 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
| Schistosoma mansoni | biotin-protein ligase | 0.005 | 0.0701 | 0.0519 |
| Echinococcus multilocularis | biotin protein ligase | 0.005 | 0.0701 | 0.0519 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0069 | 0.1254 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (binding) | = 3.85 uM | Displacement of [3H]-biotin from human BPL after 20 mins by scintillation counting | ChEMBL. | 24900501 |
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.
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
- ChEMBL: CHEMBL2063398
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.