Detailed information for compound 617706

Basic information

Technical information
  • TDR Targets ID: 617706
  • Name: ethyl 3-(1,3-benzothiazol-2-yl)-2-(2-methylpr opanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyr idine-6-carboxylate
  • MW: 429.556 | Formula: C21H23N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCc2c(C1)sc(c2c1nc2c(s1)cccc2)NC(=O)C(C)C
  • InChi: 1S/C21H23N3O3S2/c1-4-27-21(26)24-10-9-13-16(11-24)29-20(23-18(25)12(2)3)17(13)19-22-14-7-5-6-8-15(14)28-19/h5-8,12H,4,9-11H2,1-3H3,(H,23,25)
  • InChiKey: MNUDLAZOFVNJAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1,3-benzothiazol-2-yl)-2-[(2-methyl-1-oxopropyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
  • 3-(1,3-benzothiazol-2-yl)-2-(isobutyrylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester

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 granulosus tar DNA binding protein 0.0264 0.2614 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0145 0.123 0.4705
Loa Loa (eye worm) TAR-binding protein 0.0264 0.2614 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0124 0.0992 0.3794
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.123 0.4159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.123 0.4159
Giardia lamblia PHD finger protein 15 0.006 0.0245 0.5
Brugia malayi TAR-binding protein 0.0264 0.2614 1
Trichomonas vaginalis chromobox protein, putative 0.007 0.0358 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0332 0.127
Schistosoma mansoni chromobox protein 0.007 0.0358 0.048
Schistosoma mansoni tar DNA-binding protein 0.0264 0.2614 1
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0245 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.2177 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0197 0.1841 0.6738
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0035 0.0969
Brugia malayi Heterochromatin protein 1 0.007 0.0358 0.1371
Loa Loa (eye worm) hypothetical protein 0.0099 0.0697 0.2667
Brugia malayi jmjC domain containing protein 0.0197 0.1841 0.7043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.123 0.4159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.123 0.101
Echinococcus multilocularis chromobox protein 1 0.007 0.0358 0.0117
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0697 0.2667
Brugia malayi RNA binding protein 0.0264 0.2614 1
Schistosoma mansoni tar DNA-binding protein 0.0264 0.2614 1
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0392 0.0623
Schistosoma mansoni jumonji domain containing protein 0.0157 0.1369 0.4744
Loa Loa (eye worm) hypothetical protein 0.0103 0.0746 0.2854
Trichomonas vaginalis chromobox protein, putative 0.007 0.0358 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0332 0.127
Toxoplasma gondii PHD-finger domain-containing protein 0.006 0.0245 0.5
Onchocerca volvulus Alhambra homolog 0.006 0.0245 1
Schistosoma mansoni tar DNA-binding protein 0.0264 0.2614 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0197 0.1841 0.1637
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0145 0.123 0.101
Echinococcus multilocularis lysine specific demethylase 5A 0.0073 0.0392 0.0151
Brugia malayi RNA recognition motif domain containing protein 0.0264 0.2614 1
Schistosoma mansoni tar DNA-binding protein 0.0264 0.2614 1
Plasmodium vivax hypothetical protein, conserved 0.006 0.0245 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0392 0.0623
Brugia malayi PHD-finger family protein 0.006 0.0245 0.0936
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0035 0.0969
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0145 0.123 0.4705
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0358 0.1371
Echinococcus multilocularis chromobox protein 1 0.007 0.0358 0.0117
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0035 0.1419
Echinococcus granulosus chromobox protein 1 0.007 0.0358 0.048
Echinococcus multilocularis tar DNA binding protein 0.0264 0.2614 0.2429
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0264 0.2614 1
Echinococcus granulosus jumonji domain containing protein 0.0084 0.0519 0.116
Echinococcus granulosus chromobox protein 1 0.007 0.0358 0.048
Loa Loa (eye worm) RNA binding protein 0.0264 0.2614 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0697 0.2667
Brugia malayi Bromodomain containing protein 0.006 0.0245 0.0936
Plasmodium falciparum phd finger protein, putative 0.006 0.0245 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0145 0.123 0.4159
Brugia malayi jmjC domain containing protein 0.0073 0.0392 0.1501
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0697 0.2667
Loa Loa (eye worm) hypothetical protein 0.006 0.0245 0.0936
Echinococcus multilocularis jumonji domain containing protein 0.0084 0.0519 0.0282
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0392 0.1501
Schistosoma mansoni chromobox protein 0.007 0.0358 0.048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0145 0.123 0.4159
Schistosoma mansoni hypothetical protein 0.0068 0.0332 0.0368
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0392 0.0623
Loa Loa (eye worm) PHD-finger family protein 0.006 0.0245 0.0936
Schistosoma mansoni tar DNA-binding protein 0.0264 0.2614 1

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.