Detailed information for compound 1166903

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.412 | Formula: C15H22N2O2S
  • H donors: 0 H acceptors: 1 LogP: 1.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1COC2(C(N1C)C)CCN(CC2)Cc1cscc1
  • InChi: 1S/C15H22N2O2S/c1-12-15(19-10-14(18)16(12)2)4-6-17(7-5-15)9-13-3-8-20-11-13/h3,8,11-12H,4-7,9-10H2,1-2H3
  • InChiKey: YFLJVOAUBDTUEI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.0743 0.0592
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0052 0.0052
Loa Loa (eye worm) hypothetical protein 0.0098 0.0415 0.0959
Brugia malayi beta-lactamase family protein 0.0116 0.0518 0.1196
Loa Loa (eye worm) IMP dehydrogenase 1 0.0769 0.4327 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.0518 0.2694
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0769 0.4327 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0104 0.0448 0.1034
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0652 0.1339
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0769 0.4327 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0136 0.0124
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0089 0.0205
Loa Loa (eye worm) hypothetical protein 0.0106 0.046 0.1063
Onchocerca volvulus Huntingtin homolog 0.0122 0.0555 0.304
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0066 0.0228 0.0528
Loa Loa (eye worm) beta-lactamase 0.0116 0.0518 0.1196
Loa Loa (eye worm) nuclear hormone receptor 0.0099 0.0421 0.0972
Brugia malayi WGR domain containing protein 0.0076 0.0288 0.0666
Loa Loa (eye worm) hypothetical protein 0.01 0.0427 0.0987
Loa Loa (eye worm) hypothetical protein 0.0508 0.2805 0.6483
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0769 0.4327 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0116 0.0518 0.1196
Onchocerca volvulus 0.0104 0.0448 0.2453
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0705 0.0705
Schistosoma mansoni glutaminase 0.0315 0.168 0.3884
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.066 0.1526
Loa Loa (eye worm) hypothetical protein 0.0076 0.0288 0.0666
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0052 0.0121
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0738 0.415 0.9536
Trypanosoma brucei GMP reductase 0.0769 0.4327 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0052 0.0121
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.034 0.1824 0.343
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.034 0.1824 0.4216
Schistosoma mansoni hypothetical protein 0.0036 0.0052 0.0121
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0769 0.4327 1
Echinococcus multilocularis protein patched 0.0042 0.0089 0.0089
Brugia malayi follicle stimulating hormone receptor 0.0267 0.14 0.3235
Trichomonas vaginalis penicillin-binding protein, putative 0.0116 0.0518 0.2694
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0144 0.0685 0.1345
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.0518 0.1196
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Echinococcus granulosus poly ADP ribose polymerase 1 0.0139 0.0653 0.151
Echinococcus multilocularis beta LACTamase domain containing family member 0.0116 0.0518 0.0518
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0415 0.0959
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0769 0.4327 1
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.034 0.1824 0.4216
Brugia malayi WGR domain containing protein 0.0139 0.0653 0.151
Schistosoma mansoni patched 1 0.0042 0.0089 0.0205
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.0185
Loa Loa (eye worm) hypothetical protein 0.0052 0.0144 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0705 0.1629
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0769 0.4327 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0116 0.0518 0.1196
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0769 0.4327 1
Echinococcus multilocularis protein dispatched 1 0.0048 0.0123 0.0123
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0769 0.4327 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0148 0.0705 0.1629
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0032 0.0029 0.0029
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0116 0.0518 0.1196
Toxoplasma gondii IMP dehydrogenas 0.0769 0.4327 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.011 0.0483 0.1115
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.0652 0.0352
Onchocerca volvulus Huntingtin homolog 0.0122 0.0555 0.304
Schistosoma mansoni hypothetical protein 0.0104 0.0448 0.1034
Loa Loa (eye worm) hypothetical protein 0.0042 0.0089 0.0205
Echinococcus granulosus WGR domain containing protein 0.0043 0.0095 0.0219
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.1551 0.3459
Leishmania major inosine-5-monophosphate dehydrogenase 0.0769 0.4327 1
Loa Loa (eye worm) hypothetical protein 0.0122 0.0555 0.1282
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0267 0.14 0.3235
Trichomonas vaginalis esterase, putative 0.0116 0.0518 0.2694
Mycobacterium ulcerans hypothetical protein 0.0154 0.0743 0.0592
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0429 0.2346 0.48
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.0185
Onchocerca volvulus 0.0116 0.0518 0.2837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0705 0.1629
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0518 0.2694
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0769 0.4327 1
Onchocerca volvulus Putative GMP reductase 0.034 0.1824 1
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0076 0.0288 0.0288
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0139 0.0653 0.151
Echinococcus multilocularis survival motor neuron protein 1 0.0508 0.2805 0.2805
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.034 0.1824 0.343
Onchocerca volvulus 0.0116 0.0518 0.2837
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0415 0.0415
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0076 0.0288 0.0482
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0076 0.0288 0.0666
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.0518 0.1023
Brugia malayi hypothetical protein 0.0122 0.0555 0.1282
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.0652 0.1339
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0116 0.0518 0.1196
Loa Loa (eye worm) hypothetical protein 0.0122 0.0555 0.1282
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0293 0.1551 0.3459
Onchocerca volvulus 0.0116 0.0518 0.2837
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0148 0.0705 0.0705
Brugia malayi glutaminase DH11.1 0.0315 0.168 0.3884
Trichomonas vaginalis glutaminase, putative 0.0315 0.168 1
Toxoplasma gondii ABC1 family protein 0.0116 0.0518 0.0947
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0148 0.0705 0.1629
Leishmania major guanosine monophosphate reductase 0.0769 0.4327 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0415 0.6036
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0518 0.2694
Brugia malayi GMP reductase 0.034 0.1824 0.4216
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0769 0.4327 1
Brugia malayi beta-lactamase 0.0116 0.0518 0.1196
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0705 0.1629
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0139 0.0653 0.0653
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0139 0.0653 1
Loa Loa (eye worm) GMP reductase 0.034 0.1824 0.4216
Brugia malayi Steroid receptor seven-up type 2 0.011 0.0483 0.1115
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0148 0.0705 0.1629
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.0424 0.098
Loa Loa (eye worm) glutaminase 2 0.0315 0.168 0.3884
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0076 0.0288 0.0482
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0055 0.0163 0.0376
Trypanosoma cruzi GMP reductase 0.0769 0.4327 1
Echinococcus granulosus expressed conserved protein 0.0092 0.038 0.0879
Trypanosoma cruzi hypothetical protein, conserved 0.0116 0.0518 0.1023
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0089 0.0089
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0769 0.4327 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Trypanosoma cruzi GMP reductase 0.0769 0.4327 1
Brugia malayi hypothetical protein 0.0508 0.2805 0.6483
Echinococcus granulosus poly (ADP ribose) polymerase 0.0043 0.0095 0.0219
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0769 0.4327 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0769 0.4327 0.4327
Brugia malayi CHE-14 protein 0.0042 0.0089 0.0205
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0415 0.0959
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0089 0.0205
Trypanosoma brucei hypothetical protein, conserved 0.0116 0.0518 0.1023
Leishmania major mitochondrial DNA polymerase beta 0.0293 0.1551 0.2714
Echinococcus granulosus survival motor neuron protein 1 0.0508 0.2805 0.6483
Echinococcus granulosus poly adp ribose polymerase 2 0.0076 0.0288 0.0666
Mycobacterium ulcerans glutaminase 0.0315 0.168 0.3053
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.0185
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0769 0.4327 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.011 0.0483 0.0483
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0293 0.1551 0.3459
Brugia malayi beta-lactamase family protein 0.0116 0.0518 0.1196
Trypanosoma brucei poly(adp-ribose) polymerase 0.0076 0.0288 0.0482
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.066 0.066
Brugia malayi hypothetical protein 0.0036 0.0052 0.0121
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0089 0.0205
Schistosoma mansoni hypothetical protein 0.0041 0.008 0.0185
Echinococcus multilocularis expressed conserved protein 0.0092 0.038 0.038
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0769 0.4327 1
Schistosoma mansoni survival motor neuron protein 0.0104 0.0448 0.1034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0148 0.0705 0.1629
Trichomonas vaginalis D-aminoacylase, putative 0.0116 0.0518 0.2694
Loa Loa (eye worm) hypothetical protein 0.0116 0.0518 0.1196
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0429 0.2346 0.48
Loa Loa (eye worm) glutaminase 0.0315 0.168 0.3884

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.