Detailed information for compound 781699

Basic information

Technical information
  • TDR Targets ID: 781699
  • Name: 3-amino-5-chloro-4,6-dimethyl-N,N-di(prop-2-e nyl)thieno[5,4-b]pyridine-2-carboxamide
  • MW: 335.852 | Formula: C16H18ClN3OS
  • H donors: 1 H acceptors: 2 LogP: 4.55 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCN(C(=O)c1sc2c(c1N)c(C)c(c(n2)C)Cl)CC=C
  • InChi: 1S/C16H18ClN3OS/c1-5-7-20(8-6-2)16(21)14-13(18)11-9(3)12(17)10(4)19-15(11)22-14/h5-6H,1-2,7-8,18H2,3-4H3
  • InChiKey: KAZZNFGMYZRWEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-diallyl-3-amino-5-chloro-4,6-dimethyl-thieno[5,4-b]pyridine-2-carboxamide
  • N,N-diallyl-3-amino-5-chloro-4,6-dimethyl-2-thieno[5,4-b]pyridinecarboxamide
  • ZINC04754012
  • A3987/0169858

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 neuroligin 0.0114 0.1169 0.1035
Loa Loa (eye worm) hypothetical protein 0.0049 0.015 0.015
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0114 0.1169 0.1035
Schistosoma mansoni metabotropic glutamate receptor 0.033 0.4586 0.4586
Echinococcus granulosus para nitrobenzyl esterase 0.0114 0.1169 0.1035
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1169 0.1169
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0635 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0635 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0114 0.1169 0.1169
Brugia malayi Probable ClpP-like protease 0.008 0.0635 0.0492
Echinococcus multilocularis acetylcholinesterase 0.0672 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0114 0.1169 0.1035
Brugia malayi Carboxylesterase family protein 0.0672 1 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.008 0.0635 0.0492
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0635 0.5
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.02 0.0051
Schistosoma mansoni memapsin-2 (A01 family) 0.0276 0.3731 0.3731
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Loa Loa (eye worm) carboxylesterase 0.0114 0.1169 0.1169
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Onchocerca volvulus 0.0114 0.1169 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0635 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0635 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Schistosoma mansoni peptidase Clp (S14 family) 0.008 0.0635 0.0635
Echinococcus multilocularis acetylcholinesterase 0.0672 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0114 0.1169 1
Schistosoma mansoni acetylcholinesterase 0.0114 0.1169 0.1169
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.008 0.0635 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169
Echinococcus granulosus acetylcholinesterase 0.0672 1 1
Loa Loa (eye worm) carboxylesterase 0.0672 1 1
Onchocerca volvulus 0.0114 0.1169 0.5
Onchocerca volvulus 0.0114 0.1169 0.5
Brugia malayi Carboxylesterase family protein 0.0114 0.1169 0.1035
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0114 0.1169 0.1035
Loa Loa (eye worm) acetylcholinesterase 1 0.0672 1 1
Brugia malayi Carboxylesterase family protein 0.0114 0.1169 0.1035
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0114 0.1169 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0114 0.1169 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0672 1 1
Onchocerca volvulus 0.0114 0.1169 0.5
Brugia malayi hypothetical protein 0.0114 0.1169 0.1035
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.008 0.0635 0.0492
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0635 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.008 0.0635 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0114 0.1169 0.1035
Echinococcus granulosus acetylcholinesterase 0.0672 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0114 0.1169 0.1035
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0635 0.5
Loa Loa (eye worm) carboxylesterase 0.0114 0.1169 0.1169
Echinococcus granulosus neuroligin 0.0114 0.1169 0.1035
Schistosoma mansoni BC026374 protein (S09 family) 0.0114 0.1169 0.1169
Brugia malayi Carboxylesterase family protein 0.0114 0.1169 0.1035
Trichomonas vaginalis spcc417.12 protein, putative 0.0114 0.1169 0.5
Loa Loa (eye worm) hypothetical protein 0.0672 1 1
Schistosoma mansoni gliotactin 0.0114 0.1169 0.1169
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.02 0.0051
Onchocerca volvulus 0.0114 0.1169 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0114 0.1169 1
Loa Loa (eye worm) hypothetical protein 0.0672 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0635 0.0635
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0114 0.1169 0.1169
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0672 1 1
Echinococcus granulosus carboxylesterase 5A 0.0672 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0114 0.1169 1
Brugia malayi Carboxylesterase family protein 0.0114 0.1169 0.1035
Loa Loa (eye worm) hypothetical protein 0.0114 0.1169 0.1169

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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