Detailed information for compound 1564993

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.519 | Formula: C25H23NO5S
  • H donors: 1 H acceptors: 2 LogP: 5.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)c1ccc(c(c1)OC)OC
  • InChi: 1S/C25H23NO5S/c1-29-22-11-6-19-15-23(12-7-18(19)14-22)32(27,28)26-21-9-4-17(5-10-21)20-8-13-24(30-2)25(16-20)31-3/h4-16,26H,1-3H3
  • InChiKey: ILYMLIIWPUWOSS-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Plasmodium falciparum amino acid transporter, putative 0.0041 0.1439 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0145 0.0145
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.1439 0.1439
Loa Loa (eye worm) norepinephrine transporter 0.024 1 1
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Echinococcus multilocularis tissue type plasminogen activator 0.0035 0.1215 0.1215
Plasmodium falciparum transporter, putative 0.0041 0.1439 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Schistosoma mansoni voltage-gated potassium channel 0.004 0.1406 0.1406
Toxoplasma gondii hypothetical protein 0.0041 0.1439 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.1439 0.1439
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0145 0.0145
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.1439 0.1439
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0145 0.0145
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.1262 0.1262
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.1439 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.1439 0.1439
Toxoplasma gondii hypothetical protein 0.0041 0.1439 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0041 0.1439 0.1439
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.1439 0.1439
Treponema pallidum sodium- and chloride- dependent transporter 0.024 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 0.1215 0.1215
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Onchocerca volvulus 0.0041 0.1439 0.0255
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.1439 0.1439
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1158 1
Echinococcus granulosus tissue type plasminogen activator 0.0035 0.1215 0.1215
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.1439 0.1439
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.1262 0.1262
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Plasmodium vivax amine transporter, putative 0.0041 0.1439 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.024 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.1215 0.1215
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0145 0.0145
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0041 0.1439 0.1439
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0041 0.1439 0.1439
Onchocerca volvulus 0.024 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0041 0.1439 0.1439
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0041 0.1439 0.1439
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Echinococcus multilocularis serotonin transporter 0.024 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Echinococcus granulosus sodium and chloride dependent glycine 0.0041 0.1439 0.1439
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Brugia malayi Protein kinase domain containing protein 0.0035 0.1215 0.1215
Loa Loa (eye worm) solute carrier family 6 member 4 0.024 1 1
Onchocerca volvulus 0.0041 0.1439 0.0255
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.1439 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.1054 0.1054
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.1439 0.1439
Echinococcus granulosus serotonin transporter 0.024 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0041 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.0011 0.0145 0.0145
Plasmodium vivax hypothetical protein, conserved 0.0041 0.1439 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0041 0.1439 0.1439
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0041 0.1439 0.1439
Schistosoma mansoni sodium/chloride dependent transporter 0.0041 0.1439 0.1439
Brugia malayi Kringle domain containing protein 0.0035 0.1215 0.1215
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.024 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0145 0.0145
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0041 0.1439 0.1439
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1158 1
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0145 0.0145
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0145 0.0145
Schistosoma mansoni sodium/chloride dependent transporter 0.024 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1215 0.5
Leishmania major hypothetical protein, conserved 0.0035 0.1215 0.5
Onchocerca volvulus 0.0041 0.1439 0.0255
Loa Loa (eye worm) hypothetical protein 0.0041 0.1439 0.1439
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.1262 0.1262
Loa Loa (eye worm) hypothetical protein 0.0035 0.1215 0.1215
Schistosoma mansoni voltage-gated potassium channel 0.004 0.1406 0.1406
Loa Loa (eye worm) serotonin transporter b 0.024 1 1
Brugia malayi hypothetical protein 0.0041 0.1439 0.1439
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0041 0.1439 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0041 0.1439 0.1439
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0041 0.1439 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0041 0.1439 0.1439

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8 uM Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated for 15 mins prior substrate addition measured for 10 mins by spectrophotometry ChEMBL. 22285569

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

1 literature reference was collected for this gene.

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