Detailed information for compound 846430

Basic information

Technical information
  • TDR Targets ID: 846430
  • Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene- 3-carboxylic acid
  • MW: 196.266 | Formula: C10H12O2S
  • H donors: 1 H acceptors: 2 LogP: 2.9 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1csc2c1CCCCC2
  • InChi: 1S/C10H12O2S/c11-10(12)8-6-13-9-5-3-1-2-4-7(8)9/h6H,1-5H2,(H,11,12)
  • InChiKey: LVAMTNXEXAHKJV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • IDI1_028545
  • ChemDiv3_010987

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
Brugia malayi CXXC zinc finger family protein 0.0067 0.038 0.038
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0169 0.1382 0.1382
Schistosoma mansoni methylthioadenosine phosphorylase 0.0186 0.1548 0.1548
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0545 0.5077 0.5077
Brugia malayi jmjC domain containing protein 0.0092 0.063 0.063
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.1003 0.9578 0.9537
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0643 0.6043 0.5318
Echinococcus granulosus cpg binding protein 0.0067 0.038 0.038
Echinococcus multilocularis geminin 0.0164 0.1332 0.1332
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.1046 1 1
Onchocerca volvulus 0.0229 0.1972 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0007 0.0007
Trichomonas vaginalis CMGC family protein kinase 0.1046 1 1
Schistosoma mansoni jumonji domain containing protein 0.0073 0.0443 0.0443
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0007 0.0007
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0186 0.1548 0.0725
Echinococcus multilocularis disco interacting protein 2 0.0077 0.0478 0.0478
Schistosoma mansoni serine/threonine protein kinase 0.1046 1 1
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0545 0.5077 0.5077
Echinococcus granulosus spermidine synthase 0.0672 0.6321 0.6321
Trypanosoma brucei spermidine synthase 0.0672 0.6321 0.5963
Leishmania major nucleoside phosphorylase-like protein 0.0186 0.1548 0.0725
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0186 0.1548 0.0725
Trichomonas vaginalis set domain proteins, putative 0.0229 0.1972 0.0501
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0186 0.1548 0.1548
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0643 0.6043 0.7244
Loa Loa (eye worm) hypothetical protein 0.1035 0.989 0.989
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Echinococcus granulosus jumonji domain containing protein 0.0039 0.0108 0.0108
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0118 0.0887 0.0887
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0643 0.6043 0.6043
Echinococcus multilocularis spermidine synthase 0.0672 0.6321 0.6321
Giardia lamblia Kinase, CMGC CDK 0.1046 1 1
Echinococcus granulosus cyclin dependent kinase 0.1046 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0198 0.0198
Plasmodium falciparum adenosylhomocysteinase 0.0643 0.6043 0.6043
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0643 0.6043 0.5318
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0643 0.6043 0.5318
Echinococcus granulosus cyclin dependent kinase 5 0.1046 1 1
Echinococcus multilocularis cpg binding protein 0.0067 0.038 0.038
Toxoplasma gondii DNA methyltransferase 2, putative 0.0118 0.0887 0.0887
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0058 0.0058
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0186 0.1548 0.1548
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0545 0.5077 0.4598
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0545 0.5077 0.4175
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0186 0.1548 0.1548
Loa Loa (eye worm) adenosylhomocysteinase 0.0643 0.6043 0.6043
Giardia lamblia Kinase, CMGC CDK 0.1046 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0398 0.3634 0.3634
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0058 0.0058
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0186 0.1548 0.0725
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0545 0.5077 0.5077
Toxoplasma gondii Purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1046 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0478 0.0478
Echinococcus granulosus uridine phosphorylase 1 0.0186 0.1548 0.1548
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.1046 1 1
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0202 0.1707 0.0188
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Brugia malayi hypothetical protein 0.0223 0.1917 0.1917
Schistosoma mansoni cpg binding protein 0.0067 0.038 0.038
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0118 0.0887 0.0887
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Plasmodium vivax spermidine synthase, putative 0.0672 0.6321 0.6321
Echinococcus granulosus disco interacting protein 2 0.0077 0.0478 0.0478
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0007 0.0007
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0186 0.1548 0.5
Echinococcus multilocularis methylthioadenosine phosphorylase 0.1003 0.9578 0.9578
Echinococcus granulosus peregrin 0.0054 0.025 0.025
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0007 0.0007
Brugia malayi Protein kinase domain containing protein 0.1046 1 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0007 0.0007
Giardia lamblia UPL-1 0.0186 0.1548 0.1548
Trypanosoma brucei cdc2-related kinase 3 0.1046 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.1046 1 1
Echinococcus granulosus methylthioadenosine phosphorylase 0.1003 0.9578 0.9578
Mycobacterium ulcerans spermidine synthase 0.0538 0.501 0.4311
Schistosoma mansoni serine/threonine protein kinase 0.1046 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.1046 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0058 0.0058
Echinococcus multilocularis uridine phosphorylase 1 0.0186 0.1548 0.1548
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0118 0.0887 0.0887
Echinococcus granulosus adenosylhomocysteinase 0.0643 0.6043 0.6043
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0545 0.5077 0.4598
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0007 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0007 0.0007
Schistosoma mansoni adenosylhomocysteinase 0.0643 0.6043 0.6043
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Entamoeba histolytica hypothetical protein 0.0186 0.1548 0.0725
Plasmodium vivax protein kinase Crk2 0.1046 1 1
Onchocerca volvulus 0.0223 0.1917 0.9724
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Entamoeba histolytica cell division protein kinase 2, putative 0.1046 1 1
Brugia malayi Disco-interacting protein 2 homolog 0.0077 0.0478 0.0478
Chlamydia trachomatis AMP nucleosidase 0.0186 0.1548 0.5
Schistosoma mansoni uridine phosphorylase 0.0186 0.1548 0.1548
Trichomonas vaginalis CMGC family protein kinase 0.1046 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Leishmania major spermidine synthase 0.0672 0.6321 0.5963
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0265 0.2331 0.2331
Brugia malayi Pre-SET motif family protein 0.0029 0.0007 0.0007
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0186 0.1548 0.1548
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0186 0.1548 0.0725
Loa Loa (eye worm) spermidine synthase 0.0672 0.6321 0.6321
Toxoplasma gondii phosphorylase family protein 0.0186 0.1548 0.1548
Plasmodium vivax SET domain protein, putative 0.0029 0.0007 0.0007
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.1046 1 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Trypanosoma cruzi spermidine synthase, putative 0.0672 0.6321 0.5647
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0545 0.5077 0.4175
Schistosoma mansoni methylthioadenosine phosphorylase 0.1003 0.9578 0.9578
Echinococcus multilocularis cyclin dependent kinase 1 0.1046 1 1
Brugia malayi Pre-SET motif family protein 0.0201 0.1699 0.1699
Plasmodium falciparum purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Toxoplasma gondii hypothetical protein 0.0169 0.1382 0.1382
Echinococcus multilocularis adenosylhomocysteinase 0.0643 0.6043 0.6043
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0545 0.5077 0.4598
Schistosoma mansoni adenosylhomocysteinase 0.0398 0.3634 0.3634
Echinococcus multilocularis cyclin dependent kinase 5 0.1046 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0223 0.1917 0.1917
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0643 0.6043 0.6043
Brugia malayi Spermidine synthase 0.0672 0.6321 0.6321
Schistosoma mansoni cpg binding protein 0.0067 0.038 0.038
Loa Loa (eye worm) hypothetical protein 0.0223 0.1917 0.1917
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1003 0.9578 0.9501
Treponema pallidum uridine phosphorylase (udp) 0.0186 0.1548 0.5
Entamoeba histolytica cell division protein kinase 2, putative 0.1046 1 1
Brugia malayi jmjC domain containing protein 0.0034 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0223 0.1917 0.1917
Trypanosoma brucei uridine phosphorylase 0.0186 0.1548 0.0725
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0118 0.0887 0.0887
Plasmodium falciparum spermidine synthase 0.0672 0.6321 0.6321
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0643 0.6043 0.5598
Treponema pallidum pfs protein (pfs) 0.0186 0.1548 0.5
Trypanosoma cruzi spermidine synthase, putative 0.0672 0.6321 0.5647
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0817 0.7753 1
Onchocerca volvulus 0.0029 0.0007 0.0034
Echinococcus granulosus DNA methyltransferase 2, putative 0.0118 0.0887 0.0887
Toxoplasma gondii adenosylhomocysteinase, putative 0.0643 0.6043 0.6043
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0643 0.6043 0.5318
Brugia malayi Adenosylhomocysteinase 0.0643 0.6043 0.6043
Echinococcus granulosus geminin 0.0164 0.1332 0.1332
Trichomonas vaginalis CMGC family protein kinase 0.1046 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Schistosoma mansoni hypothetical protein 0.0164 0.1332 0.1332
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0058 0.0058
Echinococcus multilocularis jumonji domain containing protein 0.0039 0.0108 0.0108
Loa Loa (eye worm) CXXC zinc finger family protein 0.0067 0.038 0.038
Trypanosoma cruzi cdc2-related kinase 3 0.1046 1 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0643 0.6043 1
Echinococcus multilocularis peregrin 0.0054 0.025 0.025
Leishmania major methylthioadenosine phosphorylase, putative 0.1003 0.9578 0.9537
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.1046 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0643 0.6043 0.5658
Onchocerca volvulus 0.0077 0.0478 0.2427
Plasmodium falciparum protein kinase 5 0.1046 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Leishmania major S-adenosylhomocysteine hydrolase 0.0643 0.6043 0.5658
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0092 0.063 0.063
Trypanosoma brucei cdc2-related kinase 1 0.1046 1 1
Echinococcus multilocularis cyclin dependent kinase 0.1046 1 1
Trypanosoma cruzi spermidine synthase, putative 0.0672 0.6321 0.5647
Trypanosoma cruzi cdc2-related kinase 3 0.1046 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0398 0.3634 0.3634
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.1003 0.9578 0.9578
Brugia malayi uridine phosphorylase family protein 0.0186 0.1548 0.1548
Echinococcus multilocularis cyclin dependent kinase 1 0.1046 1 1
Entamoeba histolytica adenosylhomocysteinase, putative 0.0643 0.6043 0.5658
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.1699 0.1699
Brugia malayi hypothetical protein 0.0223 0.1917 0.1917
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.1046 1 1
Trypanosoma cruzi spermidine synthase, putative 0.0672 0.6321 0.5647
Onchocerca volvulus 0.0067 0.038 0.1928
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0545 0.5077 0.5077
Leishmania major S-adenosylmethionine decarboxylase 0.0545 0.5077 0.4598
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0077 0.0478 0.0478
Schistosoma mansoni purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0058 0.0058
Brugia malayi MTAP 0.1003 0.9578 0.9578
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0118 0.0887 0.0887
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0186 0.1548 0.0725
Echinococcus granulosus cyclin dependent kinase 1 0.1046 1 1
Loa Loa (eye worm) uridine phosphorylase 0.0186 0.1548 0.1548
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0186 0.1548 0.1548
Schistosoma mansoni methylthioadenosine phosphorylase 0.1003 0.9578 0.9578
Toxoplasma gondii phosphorylase family protein 0.0186 0.1548 0.1548
Schistosoma mansoni adenosylhomocysteinase 0.0398 0.3634 0.3634
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0186 0.1548 0.7851
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0186 0.1548 0.0725
Echinococcus multilocularis purine nucleoside phosphorylase 0.0186 0.1548 0.1548
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.1003 0.9578 0.9501
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0092 0.063 0.063
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.1003 0.9578 1
Schistosoma mansoni cpg binding protein 0.0067 0.038 0.038
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0007 0.0007
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0265 0.2331 0.2331
Trypanosoma cruzi cdc2-related kinase 1 0.1046 1 1
Schistosoma mansoni uridine phosphorylase 0.0186 0.1548 0.1548
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0538 0.501 0.5579
Schistosoma mansoni hypothetical protein 0.0164 0.1332 0.1332

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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