Detailed information for compound 763552

Basic information

Technical information
  • TDR Targets ID: 763552
  • Name: 1-(3-pentoxyphenyl)-2-(1,3-thiazol-2-yl)-1H-c hromeno[2,3-c]pyrrole-3,9-dione
  • MW: 446.518 | Formula: C25H22N2O4S
  • H donors: 0 H acceptors: 3 LogP: 5.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCOc1cccc(c1)C1N(c2nccs2)C(=O)c2c1c(=O)c1c(o2)cccc1
  • InChi: 1S/C25H22N2O4S/c1-2-3-6-13-30-17-9-7-8-16(15-17)21-20-22(28)18-10-4-5-11-19(18)31-23(20)24(29)27(21)25-26-12-14-32-25/h4-5,7-12,14-15,21H,2-3,6,13H2,1H3
  • InChiKey: CIWJEOXZPPNKDV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3-pentoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(3-pentoxyphenyl)-2-(2-thiazolyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(3-amoxyphenyl)-2-thiazol-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-quinone

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
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0011 0.0119 0.0119
Chlamydia trachomatis pyruvate kinase 0.0035 0.0825 0.5
Trypanosoma brucei calpain, putative 0.0119 0.3346 1
Plasmodium falciparum pyruvate kinase 0.0035 0.0825 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1247 0.9242
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0035 0.0852 0.6319
Echinococcus multilocularis pyruvate kinase 0.0018 0.0324 0.2402
Echinococcus granulosus pyruvate kinase 0.0035 0.0825 0.612
Schistosoma mansoni pyruvate kinase 0.0035 0.0825 0.6621
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0825 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0119 0.3346 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0825 0.0825
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0052 0.1349 1
Schistosoma mansoni hypothetical protein 0.0029 0.0658 0.5281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1247 1
Trypanosoma brucei calpain-like protein, putative 0.0119 0.3346 1
Loa Loa (eye worm) pyruvate kinase 0.0007 0.0012 0.0012
Brugia malayi Metabotropic glutamate receptor precursor. 0.0042 0.1057 0.1057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1247 0.9242
Echinococcus multilocularis pyruvate kinase 0.0018 0.0324 0.2402
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0825 0.0825
Echinococcus granulosus pyruvate kinase 0.0018 0.0324 0.2402
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0119 0.3346 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Echinococcus granulosus pyruvate kinase 0.0035 0.0825 0.612
Loa Loa (eye worm) glutamate receptor 0.0017 0.0292 0.0292
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0825 1
Loa Loa (eye worm) tumor suppressor 0.0343 1 1
Entamoeba histolytica pyruvate kinase, putative 0.0024 0.0514 0.5
Echinococcus multilocularis pyruvate kinase 0.0035 0.0825 0.612
Brugia malayi metabotropic glutamate receptor type 2 0.0021 0.041 0.041
Loa Loa (eye worm) hypothetical protein 0.0029 0.0659 0.0659
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0038 0.0939 0.0939
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0119 0.3346 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0825 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0119 0.3346 1
Schistosoma mansoni metabotropic glutamate receptor 0.0021 0.041 0.3291
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1247 0.1247
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Echinococcus granulosus pyruvate kinase 0.0018 0.0324 0.2402
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Schistosoma mansoni metabotropic glutamate receptor 0.0035 0.0852 0.6837
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0825 0.0825
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0514 0.0514
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0119 0.3346 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0514 0.0514
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0825 0.5
Schistosoma mansoni hypothetical protein 0.0029 0.0658 0.5281
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0825 0.5
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0011 0.0119 0.0119
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0825 0.5
Brugia malayi Temporarily assigned gene name protein 44 0.0029 0.0659 0.0659
Echinococcus granulosus metabotropic glutamate receptor 5 0.0052 0.1349 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1247 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1247 1
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0825 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0825 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0011 0.0119 0.0119
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0119 0.3346 1
Brugia malayi pyruvate kinase 0.0007 0.0012 0.0012
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0119
Schistosoma mansoni pyruvate kinase 0.0035 0.0825 0.6621
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0.0012 0.0012
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0825 0.0825
Mycobacterium leprae Probable pyruvate kinase PykA 0.0035 0.0825 0.5
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0048 0.123 0.9868
Echinococcus granulosus pyruvate kinase 0.0018 0.0324 0.2402
Echinococcus multilocularis pyruvate kinase 0.0035 0.0825 0.612
Echinococcus multilocularis protein quaking 0.0029 0.0658 0.4881
Echinococcus granulosus hypothetical protein 0.0029 0.0658 0.4881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1247 0.9242
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0825 0.0825
Brugia malayi hypothetical protein 0.0029 0.0659 0.0659
Echinococcus multilocularis pyruvate kinase 0.0027 0.0608 0.451
Giardia lamblia Pyruvate kinase 0.0035 0.0825 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0035 0.0852 0.6319
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1247 0.9242
Trypanosoma brucei hypothetical protein 0.0119 0.3346 1
Echinococcus granulosus protein quaking 0.0029 0.0658 0.4881
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0825 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Loa Loa (eye worm) glutamate receptor 0.0042 0.1057 0.1057
Loa Loa (eye worm) hypothetical protein 0.0052 0.1349 0.1349
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0825 0.0825
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1247 0.1247
Schistosoma mansoni pyruvate kinase 0.0018 0.0324 0.2599
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0107 0.0107
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0119 0.3346 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0119 0.3346 1
Echinococcus multilocularis pyruvate kinase 0.0018 0.0324 0.2402

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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