Detailed information for compound 737932

Basic information

Technical information
  • TDR Targets ID: 737932
  • Name: methyl 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)ca rbamothioylamino]-6-methyl-4,5,6,7-tetrahydro -1-benzothiophene-3-carboxylate
  • MW: 421.537 | Formula: C18H23N5O3S2
  • H donors: 3 H acceptors: 3 LogP: 3.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(NC(=S)Nc2cn(nc2C(=O)N)CC)sc2c1CCC(C2)C
  • InChi: 1S/C18H23N5O3S2/c1-4-23-8-11(14(22-23)15(19)24)20-18(27)21-16-13(17(25)26-3)10-6-5-9(2)7-12(10)28-16/h8-9H,4-7H2,1-3H3,(H2,19,24)(H2,20,21,27)
  • InChiKey: BDBAUBGIBKHBKD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
  • 2-[[[(3-carbamoyl-1-ethyl-4-pyrazolyl)amino]-thioxomethyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
  • 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester
  • methyl 2-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
  • CBKinase1_019725
  • CBKinase1_007325
  • IVK/1635258

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
Echinococcus multilocularis tar DNA binding protein 0.0142 0.4938 0.5614
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0826 0.5
Schistosoma mansoni tar DNA-binding protein 0.0142 0.4938 0.933
Schistosoma mansoni Smad4 0.0018 0.0005 0.001
Leishmania major cathepsin L-like protease 0.0068 0.1967 1
Onchocerca volvulus 0.0102 0.3318 1
Schistosoma mansoni alpha-glucosidase 0.0151 0.5292 1
Schistosoma mansoni bromodomain containing protein 0.0075 0.2275 0.4299
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.8792 1
Brugia malayi RNA recognition motif domain containing protein 0.0142 0.4938 0.4935
Brugia malayi RNA binding protein 0.0142 0.4938 0.4935
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1967 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0826 0.42
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0826 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1216 0.2297
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1297 0.1292
Schistosoma mansoni thyroid hormone receptor 0.0147 0.5111 0.9656
Schistosoma mansoni alpha-glucosidase 0.0151 0.5292 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0083 0.0078
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1967 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0826 0.42
Schistosoma mansoni tar DNA-binding protein 0.0142 0.4938 0.933
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.8792 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0176 0.6266 0.6264
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0826 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0826 0.0821
Schistosoma mansoni alpha glucosidase 0.0039 0.0826 0.1561
Leishmania major cathepsin L-like protease 0.0068 0.1967 1
Echinococcus granulosus histone lysine methyltransferase setb 0.002 0.0083 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0826 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0253 0.0478
Loa Loa (eye worm) hypothetical protein 0.0049 0.1206 0.1201
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.2105 0.239
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.6266 0.7125
Loa Loa (eye worm) TAR-binding protein 0.0142 0.4938 0.4935
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.0826 0.42
Brugia malayi Glycosyl hydrolases family 31 protein 0.0176 0.6266 0.6264
Schistosoma mansoni tar DNA-binding protein 0.0142 0.4938 0.933
Echinococcus multilocularis methyl CpG binding domain protein 2 0.002 0.0083 0.0089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Loa Loa (eye worm) RNA binding protein 0.0142 0.4938 0.4935
Echinococcus granulosus tar DNA binding protein 0.0142 0.4938 0.5614
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.1967 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.8792 0.8791
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.0826 0.0821
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0826 0.0934
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0344 0.0385
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.139 0.707
Loa Loa (eye worm) transcription factor SMAD2 0.027 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0147 0.5111 0.581
Schistosoma mansoni thyroid hormone receptor 0.0147 0.5111 0.9656
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0083 0.0157
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0344 0.0649
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0978 0.1107
Schistosoma mansoni smad1 5 8 and 0.0018 0.0005 0.001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Schistosoma mansoni zinc finger protein 0.0023 0.0203 0.0383
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0.0826 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0136 0.4677 0.5317
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0344 0.0385
Schistosoma mansoni tar DNA-binding protein 0.0142 0.4938 0.933
Brugia malayi TAR-binding protein 0.0142 0.4938 0.4935
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0083 0.0157
Trypanosoma brucei glucosidase, putative 0.0039 0.0826 0.42
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.002 0.0083 0.0157
Schistosoma mansoni hypothetical protein 0.0136 0.4677 0.8837
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0018 0.0005 0.001
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0826 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1216 0.1211
Schistosoma mansoni smad1 5 8 and 0.0018 0.0005 0.001
Schistosoma mansoni smad1 5 8 and 0.0018 0.0005 0.001
Loa Loa (eye worm) hypothetical protein 0.0084 0.2628 0.2624
Echinococcus granulosus zinc finger protein 0.0023 0.0203 0.0225
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0826 0.0934
Schistosoma mansoni methyl-cpg binding protein mbd 0.002 0.0083 0.0157
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.2105 0.239
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.1733 0.8812
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Schistosoma mansoni tar DNA-binding protein 0.0142 0.4938 0.933
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.002 0.0083 0.0089
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0826 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.027 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0142 0.4938 0.4935
Loa Loa (eye worm) hypothetical protein 0.0046 0.1094 0.1089
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.1967 1
Echinococcus multilocularis zinc finger protein 0.0023 0.0203 0.0225
Echinococcus granulosus methyl CpG binding domain protein 2 0.002 0.0083 0.0089
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0826 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0.0826 0.5
Leishmania major cathepsin L-like protease 0.0068 0.1967 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0978 0.1107
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.0826 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0.0826 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0112 0.0107
Brugia malayi PHD-finger family protein 0.003 0.0456 0.0451
Brugia malayi Bromodomain containing protein 0.0089 0.2831 0.2827
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Brugia malayi hypothetical protein 0.0239 0.8792 0.8791
Echinococcus multilocularis lysosomal alpha glucosidase 0.0176 0.6266 0.7125
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.1967 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0136 0.4677 0.5317
Schistosoma mansoni smad 0.0018 0.0005 0.001
Echinococcus granulosus lysosomal alpha glucosidase 0.0176 0.6266 0.7125
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0253 0.0248
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0.0826 0.5
Schistosoma mansoni survival motor neuron protein 0.0049 0.1216 0.2297
Brugia malayi Bromodomain containing protein 0.0046 0.1091 0.1086

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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