Detailed information for compound 1014149

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.562 | Formula: C22H30N4O5S
  • H donors: 0 H acceptors: 4 LogP: 0.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1C1=CC[C@H]2N(C1)C(=O)CN(C2=O)C)S(=O)(=O)N1CCN(CC1)C
  • InChi: 1S/C22H30N4O5S/c1-4-31-20-8-6-17(32(29,30)25-11-9-23(2)10-12-25)13-18(20)16-5-7-19-22(28)24(3)15-21(27)26(19)14-16/h5-6,8,13,19H,4,7,9-12,14-15H2,1-3H3/t19-/m1/s1
  • InChiKey: TZTAZNORBOCQBR-LJQANCHMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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) FKBP5 protein 0.0053 0.2175 0.2271
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0053 0.2175 1
Leishmania major peptidylprolyl isomerase-like protein 0.0053 0.2175 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1853 0.1853
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0053 0.2175 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1853 0.1853
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.6407 0.669
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0053 0.2175 0.2271
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.2175 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0039 0.1366 0.1426
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1853 0.1853
Leishmania major alpha glucosidase II subunit, putative 0.0039 0.1366 0.4918
Onchocerca volvulus 0.0103 0.5128 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1853 0.1853
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.1366 0.1366
Leishmania major fk506-binding protein 1-like protein 0.0053 0.2175 1
Echinococcus granulosus tar DNA binding protein 0.0069 0.3128 0.3128
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0053 0.2175 0.5
Trypanosoma brucei glucosidase, putative 0.0039 0.1366 0.4918
Schistosoma mansoni alpha glucosidase 0.0039 0.1366 0.1366
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.2175 1
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.2175 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.9577 0.9577
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.2107 0.22
Schistosoma mansoni hypothetical protein 0.0185 1 1
Schistosoma mansoni immunophilin 0.0053 0.2175 0.2175
Brugia malayi TAR-binding protein 0.0069 0.3128 0.3266
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1853 0.1935
Loa Loa (eye worm) hypothetical protein 0.0046 0.1742 0.1819
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0053 0.2175 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.9577 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0053 0.2175 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1366 0.4918
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3128 0.3128
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0046 0.1742 0.1742
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0.1366 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3128 0.3128
Loa Loa (eye worm) hypothetical protein 0.0052 0.2107 0.22
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.3128 0.3266
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0053 0.2175 0.2175
Schistosoma mansoni immunophilin 0.0046 0.1742 0.1742
Schistosoma mansoni alpha-glucosidase 0.0153 0.8108 0.8108
Loa Loa (eye worm) hypothetical protein 0.0026 0.0583 0.0609
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0053 0.2175 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.2175 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3128 0.3128
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0053 0.2175 0.2271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1853 0.1853
Schistosoma mansoni immunophilin 0.0053 0.2175 0.2175
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.6407 0.669
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3128 0.3128
Brugia malayi RNA binding protein 0.0069 0.3128 0.3266
Schistosoma mansoni hypothetical protein 0.0185 1 1
Loa Loa (eye worm) RNA binding protein 0.0069 0.3128 0.3266
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1853 0.1853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1853 0.1853
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.9577 0.9577
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.3128 0.3266
Brugia malayi hypothetical protein 0.0017 0.0031 0.0032
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.2107 0.22
Trichomonas vaginalis immunophilin, putative 0.0053 0.2175 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.1366 0.1366
Schistosoma mansoni alpha-glucosidase 0.0153 0.8108 0.8108
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0053 0.2175 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0053 0.2175 0.2175
Schistosoma mansoni hypothetical protein 0.0035 0.1132 0.1132
Schistosoma mansoni tar DNA-binding protein 0.0069 0.3128 0.3128
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.1366 0.4918
Trichomonas vaginalis fk506-binding protein, putative 0.0053 0.2175 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.1366 0.1426
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0053 0.2175 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.9577 0.9577
Loa Loa (eye worm) TAR-binding protein 0.0069 0.3128 0.3266
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1853 0.1935
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0053 0.2175 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0053 0.2175 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.3128 0.3128
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0053 0.2175 0.5
Echinococcus multilocularis fk506 binding protein 0.0053 0.2175 0.2175
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0053 0.2175 0.2271
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.1132 0.1182
Brugia malayi hypothetical protein 0.0026 0.0583 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.1132 0.1182
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.2175 0.2175
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.2107 0.22
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0053 0.2175 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.9577 1
Echinococcus multilocularis geminin 0.0185 1 1
Brugia malayi MH2 domain containing protein 0.0124 0.6407 0.669
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0053 0.2175 0.2175
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0046 0.1742 0.1742

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.