Detailed information for compound 784285

Basic information

Technical information
  • TDR Targets ID: 784285
  • Name: N,N-dimethyl-2-[(3-methylbenzoyl)amino]-5,6,7 ,8-tetrahydro-4H-cyclohepta[d]thiophene-3-car boxamide
  • MW: 356.482 | Formula: C20H24N2O2S
  • H donors: 1 H acceptors: 2 LogP: 4.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)Nc1sc2c(c1C(=O)N(C)C)CCCCC2
  • InChi: 1S/C20H24N2O2S/c1-13-8-7-9-14(12-13)18(23)21-19-17(20(24)22(2)3)15-10-5-4-6-11-16(15)25-19/h7-9,12H,4-6,10-11H2,1-3H3,(H,21,23)
  • InChiKey: ZNWKEDCZFYAFBV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-2-[[(3-methylphenyl)-oxomethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxamide
  • N,N-dimethyl-2-[(3-methylphenyl)carbonylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiophene-3-carboxamide
  • ZINC00708354
  • Oprea1_229110
  • AG-205/12835096
  • A2080/0087476
  • CBMicro_042752
  • BIM-0042833.P001

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 vivax phenylalanine--tRNA ligase, putative 0.024 0.1407 0.6363
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0163 0.0068
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2194 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0203 0.1163 0.3565
Loa Loa (eye worm) phosphofructokinase 0.0118 0.0598 0.2392
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.024 0.1407 0.6363
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0149 0.0251
Echinococcus multilocularis SAM and MBT domain containing protein 0.0052 0.0163 0.0276
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1543 1 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0052 0.0163 0.0276
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0598 0.2618
Schistosoma mansoni sex comb on midleg homolog 0.0052 0.0163 0.0068
Echinococcus multilocularis neuropeptide s receptor 0.05 0.3121 1
Brugia malayi mbt repeat family protein 0.0052 0.0163 0.0741
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.0248 0.0557
Loa Loa (eye worm) hypothetical protein 0.0059 0.021 0.0542
Plasmodium falciparum phenylalanine--tRNA ligase 0.024 0.1407 0.6363
Brugia malayi 6-phosphofructokinase 0.0118 0.0598 0.2725
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.036 0.2194 1
Echinococcus multilocularis polycomb protein SCMH1 0.0052 0.0163 0.0276
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0149 0.023
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0118 0.0598 0.2618
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0598 0.2618
Brugia malayi 6-phosphofructokinase 0.0118 0.0598 0.2725
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0149 0.0677
Echinococcus granulosus neuropeptide s receptor 0.05 0.3121 1
Onchocerca volvulus 0.0052 0.0163 0.5
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2194 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0059 0.021 0.0299
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0118 0.0598 0.0528
Brugia malayi mbt repeat family protein 0.0052 0.0163 0.0741
Echinococcus multilocularis neuropeptide receptor A26 0.05 0.3121 1
Loa Loa (eye worm) mbt repeat family protein 0.0052 0.0163 0.0317
Brugia malayi phosphofructokinase 0.0118 0.0598 0.2725
Loa Loa (eye worm) hypothetical protein 0.036 0.2194 1
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.036 0.2194 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0113 0.0081
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.036 0.2194 1
Schistosoma mansoni hypothetical protein 0.0314 0.1891 0.852
Chlamydia trachomatis phenylalanine--tRNA ligase subunit beta 0.0038 0.0074 0.0042
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0598 0.2618
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0598 0.2618
Echinococcus multilocularis histone acetyltransferase MYST2 0.0059 0.021 0.0431
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0052 0.0163 0.5
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.036 0.2194 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.0223 0.1294 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0163 0.0317
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2194 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1543 1 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0327 0.11
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0059 0.021 0.0431
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0136 0.0722 0.3195
Echinococcus granulosus 6 phosphofructokinase 0.0118 0.0598 0.1706
Loa Loa (eye worm) MBCTL1 0.0059 0.021 0.0542
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0136 0.0722 0.3195
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.024 0.1407 0.6251
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.036 0.2194 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.036 0.2194 0.6951
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0149 0.023
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.036 0.2194 1
Echinococcus granulosus neuropeptide receptor A26 0.05 0.3121 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0052 0.0163 0.0068
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.024 0.1407 0.4367
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0149 0.023
Echinococcus granulosus polycomb protein SCMH1 0.0052 0.0163 0.0276
Plasmodium falciparum phenylalanine--tRNA ligase 0.0175 0.0974 0.4357
Schistosoma mansoni bromodomain containing protein 0.0068 0.0274 0.0612
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0598 0.2618
Loa Loa (eye worm) hypothetical protein 0.0046 0.0127 0.0145
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0598 0.2392
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0598 0.2196
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1543 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0118 0.0598 0.2196
Echinococcus granulosus phenylalanyl tRNA synthetase 0.024 0.1407 0.4367
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.036 0.2194 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0149 0.023
Echinococcus multilocularis 6 phosphofructokinase 0.0118 0.0598 0.1706
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.024 0.1407 0.6155
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0203 0.1163 0.3565
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0136 0.0722 0.3195
Brugia malayi Bromodomain containing protein 0.0081 0.0357 0.1629
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0136 0.0722 0.2806
Entamoeba histolytica phosphofructokinase, putative 0.0118 0.0598 0.2618
Echinococcus granulosus histone acetyltransferase MYST2 0.0059 0.021 0.0431
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.036 0.2194 1
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.036 0.2194 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0059 0.021 0.0956
Trichomonas vaginalis phosphofructokinase, putative 0.0118 0.0598 0.2618
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.036 0.2194 0.6951
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0059 0.021 0.0431
Brugia malayi Bromodomain containing protein 0.0041 0.0096 0.0435
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.024 0.1407 0.6416
Mycobacterium ulcerans 6-phosphofructokinase 0.0118 0.0598 0.0528
Loa Loa (eye worm) 6-phosphofructokinase 0.0118 0.0598 0.2392
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.0248 0.0557

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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