Detailed information for compound 1520091

Basic information

Technical information
  • TDR Targets ID: 1520091
  • Name: 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-[(3 -methoxyphenyl)methyl]propanamide
  • MW: 433.34 | Formula: C15H17BrN2O4S2
  • H donors: 2 H acceptors: 3 LogP: 2.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)CCNS(=O)(=O)c1ccc(s1)Br
  • InChi: 1S/C15H17BrN2O4S2/c1-22-12-4-2-3-11(9-12)10-17-14(19)7-8-18-24(20,21)15-6-5-13(16)23-15/h2-6,9,18H,7-8,10H2,1H3,(H,17,19)
  • InChiKey: WZXISHGEFLFRCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(5-bromo-2-thienyl)sulfonylamino]-N-[(3-methoxyphenyl)methyl]propanamide
  • 3-[(5-bromo-2-thienyl)sulfonylamino]-N-(3-methoxybenzyl)propionamide
  • EU-0090305

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0866 0.1154
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0253 0.5368 0.7149
Onchocerca volvulus Putative thymidylate kinase 0.0344 0.7508 1
Plasmodium vivax thymidylate kinase, putative 0.0344 0.7508 1
Schistosoma mansoni thymidylate kinase 0.0344 0.7508 1
Brugia malayi Importin beta-1 subunit 0.0028 0.0124 0.0166
Echinococcus multilocularis geminin 0.0167 0.3371 0.3371
Entamoeba histolytica Thymidylate kinase, putative 0.0344 0.7508 1
Brugia malayi RNA, U transporter 1 0.0081 0.1352 0.18
Schistosoma mansoni thymidylate kinase 0.0344 0.7508 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0783 0.0783
Schistosoma mansoni hypothetical protein 0.0041 0.0421 0.0561
Leishmania major hypothetical protein, conserved 0.0135 0.2618 0.2728
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0344 0.7508 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0866 0.1154
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0866 0.1154
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Loa Loa (eye worm) glutaminase 2 0.027 0.577 0.7685
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0082 0.1365 0.1819
Toxoplasma gondii thymidylate kinase 0.0344 0.7508 1
Trypanosoma brucei thymidylate kinase, putative 0.0344 0.7508 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Loa Loa (eye worm) thymidylate kinase 0.0344 0.7508 1
Schistosoma mansoni hypothetical protein 0.0344 0.7508 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Loa Loa (eye worm) glutaminase 0.027 0.577 0.7685
Echinococcus granulosus thymidylate kinase 0.0344 0.7508 0.7508
Echinococcus multilocularis snurportin 1 0.0304 0.6565 0.6565
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0124 0.0124
Chlamydia trachomatis thymidylate kinase 0.0344 0.7508 0.5
Brugia malayi thymidylate kinase 0.0344 0.7508 1
Mycobacterium ulcerans thymidylate kinase 0.0344 0.7508 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0694 0.0924
Loa Loa (eye worm) hypothetical protein 0.006 0.0866 0.1154
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0421 0.0561
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0344 0.7508 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Schistosoma mansoni glutaminase 0.027 0.577 0.7685
Trichomonas vaginalis glucosylceramidase, putative 0.0253 0.5368 0.7149
Giardia lamblia CDC8 0.0344 0.7508 0.5
Echinococcus granulosus snurportin 1 0.0304 0.6565 0.6565
Schistosoma mansoni hypothetical protein 0.0167 0.3371 0.4489
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Trypanosoma cruzi thymidylate kinase, putative 0.0344 0.7508 1
Trichomonas vaginalis glutaminase, putative 0.027 0.577 0.7685
Trichomonas vaginalis thymidylate kinase, putative 0.0344 0.7508 1
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Trichomonas vaginalis thymidylate kinase, putative 0.0344 0.7508 1
Schistosoma mansoni hypothetical protein 0.0167 0.3371 0.4489
Trypanosoma brucei thymidylate kinase, putative 0.0344 0.7508 1
Echinococcus granulosus importin subunit beta 1 0.0028 0.0124 0.0124
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0344 0.7508 0.5
Brugia malayi follicle stimulating hormone receptor 0.0229 0.4806 0.6401
Schistosoma mansoni hypothetical protein 0.0304 0.6565 0.8744
Loa Loa (eye worm) hypothetical protein 0.0028 0.0124 0.0166
Trypanosoma cruzi thymidylate kinase, putative 0.0344 0.7508 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0783 0.1043
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0304 0.6565 0.8744
Leishmania major thymidylate kinase-like protein 0.0344 0.7508 1
Plasmodium falciparum thymidylate kinase 0.0344 0.7508 1
Brugia malayi glutaminase DH11.1 0.027 0.577 0.7685
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.0082 0.1365 0.1819
Trichomonas vaginalis glucosylceramidase, putative 0.0166 0.3336 0.4443
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3545 0.4721
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.4806 0.6401
Echinococcus granulosus geminin 0.0167 0.3371 0.3371
Schistosoma mansoni importin beta-1 0.0028 0.0124 0.0166
Echinococcus multilocularis expressed protein 0.0451 1 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0783 0.1043
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0783 0.0783
Echinococcus multilocularis thymidylate kinase 0.0344 0.7508 0.7508
Mycobacterium ulcerans glutaminase 0.027 0.577 0.7415
Loa Loa (eye worm) hypothetical protein 0.0082 0.1365 0.1819
Trichomonas vaginalis glucosylceramidase, putative 0.0175 0.3545 0.4721
Treponema pallidum thymidylate kinase (tmk) 0.0344 0.7508 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0421 0.0561
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0253 0.5368 0.7149

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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