Detailed information for compound 1773243
Basic information
Technical information
- Name: Unnamed compound
- MW: 320.448 | Formula: C14H28N2O4S
-
H donors: 4
H acceptors: 4
LogP: 0.04
Rotable bonds: 13
Rule of 5 violations (Lipinski): 1 - SMILES: CSCCCNC(=O)CCCNC(=O)[C@@H](C(CO)(C)C)O
- InChi: 1S/C14H28N2O4S/c1-14(2,10-17)12(19)13(20)16-7-4-6-11(18)15-8-5-9-21-3/h12,17,19H,4-10H2,1-3H3,(H,15,18)(H,16,20)/t12-/m0/s1
- InChiKey: OJTZUTALQKWPBG-LBPRGKRZSA-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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Brugia malayi | nicotinic acetylcholine receptor beta-1 chain precursor | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | glutamate-gated chloride channel alpha3A subunit | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor subunit alpha 8 | 0.00757636 | 1 | 1 |
| Trypanosoma cruzi | metallo-peptidase, Clan MG, Family M24 | 0.00566906 | 0.454251 | 0.5 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | Cation transporter family protein | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor alpha subunit | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | methionyl aminopeptidase 2 (M24 family) | 0.00566906 | 0.454251 | 0.454251 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit type | 0.00757636 | 1 | 1 |
| Brugia malayi | acetylcholine receptor, alpha-type subunit unc-38 precursor | 0.00757636 | 1 | 1 |
| Plasmodium vivax | methionine aminopeptidase 2, putative | 0.00566906 | 0.454251 | 0.5 |
| Echinococcus granulosus | acetylcholine receptor subunit beta 1 | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | neuronal acetylcholine receptor subunit alpha 4 | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | nAChR subunit | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Entamoeba histolytica | methionine aminopeptidase, putative | 0.00566906 | 0.454251 | 1 |
| Loa Loa (eye worm) | LGC-31 protein | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit (ShAR1-beta2-like) | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | nAChR subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | initiation factor 2-associated protein | 0.00566906 | 0.454251 | 0.454251 |
| Echinococcus granulosus | methionyl aminopeptidase 2 | 0.00566906 | 0.454251 | 0.454251 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.00757636 | 1 | 1 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.00566906 | 0.454251 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | Cys loop ligand gated ion channel subunit | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit beta | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit (ShAR1-alpha-like) | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor non-alpha subunit | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | acetylcholine receptor protein, alpha-like chain, putative | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | ACC-1 protein | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Schistosoma mansoni | nAChR subunit | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | nicotinic acetylcholine receptor alpha subunit | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | Cys-loop ligand gated ion channel subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Echinococcus multilocularis | acetylcholine receptor subunit beta 1 | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | ACC-1 protein | 0.00757636 | 1 | 1 |
| Trypanosoma brucei | metallo-peptidase, Clan MG, Family M24 | 0.00566906 | 0.454251 | 0.5 |
| Brugia malayi | initiation factor 2-associated protein. | 0.00566906 | 0.454251 | 0.454251 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.00566906 | 0.454251 | 0.5 |
| Brugia malayi | Cation transporter family protein | 0.00757636 | 1 | 1 |
| Plasmodium falciparum | methionine aminopeptidase 2 | 0.00566906 | 0.454251 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit beta | 0.00757636 | 1 | 1 |
| Brugia malayi | excitatory GABA receptor EXP-1A | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel transmembrane region family protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | ligand-Gated ion Channel family member | 0.00757636 | 1 | 1 |
| Toxoplasma gondii | methionine aminopeptidase 2, putative | 0.00566906 | 0.454251 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Trypanosoma cruzi | metallo-peptidase, Clan MG, Family M24 | 0.00566906 | 0.454251 | 0.5 |
| Onchocerca volvulus | Methionine aminopeptidase 2 homolog | 0.00566906 | 0.454251 | 0.454251 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor a11 subunit | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit beta | 0.00757636 | 1 | 1 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.00566906 | 0.454251 | 0.5 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor alpha subunit | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | neuronal acetylcholine receptor subunit alpha 4 | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | methionyl aminopeptidase 2 | 0.00566906 | 0.454251 | 0.454251 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Trichomonas vaginalis | Clan MG, familly M24, aminopeptidase P-like metallopeptidase | 0.00566906 | 0.454251 | 0.5 |
| Loa Loa (eye worm) | acetylcholine receptor alpha subunit | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit beta | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | Cys loop ligand gated ion channel subunit | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Leishmania major | methionine aminopeptidase 2, putative | 0.00566906 | 0.454251 | 0.5 |
| Brugia malayi | Hypothetical glycine receptor like protein T20B12.9 in chromosome III | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor subunit alpha 8 | 0.00757636 | 1 | 1 |
| Brugia malayi | gamma-aminobutyric-acid receptor beta subunit precursor | 0.00757636 | 1 | 1 |
| Echinococcus multilocularis | nicotinic acetylcholine receptor beta 1 subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | Neurotransmitter-gated ion-channel ligand binding domain containing protein | 0.00757636 | 1 | 1 |
| Brugia malayi | Cation transporter family protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Echinococcus granulosus | nicotinic acetylcholine receptor beta 1 subunit | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Brugia malayi | acetylcholine receptor alpha subunit precursor, putative | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | excitatory GABA receptor EXP-1A | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | nicotinic acetylcholine receptor a11 subunit | 0.00757636 | 1 | 1 |
| Brugia malayi | nicotinic acetylcholine receptor alpha subunit, putative | 0.00757636 | 1 | 1 |
| Onchocerca volvulus | 0.00757636 | 1 | 1 | |
| Trypanosoma brucei | methionine aminopeptidase 2, putative | 0.00566906 | 0.454251 | 0.5 |
| Onchocerca volvulus | Putative nachr subunit | 0.00757636 | 1 | 1 |
| Schistosoma mansoni | nAChR subunit (ShAR1-beta-like) | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
| Giardia lamblia | Methionine aminopeptidase | 0.00566906 | 0.454251 | 0.5 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Echinococcus granulosus | glycine receptor subunit alpha 1 | 0.00757636 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.00757636 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | Antiplasmodial activity against intraerythrocytic Plasmodium falciparum 3D7 infected in human erythrocytes in heat treated RPMI-1640 culture medium assessed as parasite growth inhibition after 96 hrs by microscopic analysis | ChEMBL. | 24900746 | |
| IC50 (functional) | = 7.7 uM | Antiplasmodial activity against intraerythrocytic Plasmodium falciparum 3D7 infected in human erythrocytes in fresh RPMI-1640 culture medium assessed as parasite growth inhibition after 96 hrs by microscopic analysis | ChEMBL. | 24900746 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 | 24900746 |
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: CHEMBL2408798
Bibliographic References
No literature references available for this target.
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