Detailed information for compound 1474371

Basic information

Technical information
  • TDR Targets ID: 1474371
  • Name: N-[2,5-dimethoxy-4-(3-morpholin-4-ylpropylcar bamothioylamino)phenyl]furan-2-carboxamide
  • MW: 448.536 | Formula: C21H28N4O5S
  • H donors: 2 H acceptors: 1 LogP: 2.16 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(NC(=O)c2ccco2)c(cc1N=C(NCCCN1CCOCC1)S)OC
  • InChi: 1S/C21H28N4O5S/c1-27-18-14-16(24-21(31)22-6-4-7-25-8-11-29-12-9-25)19(28-2)13-15(18)23-20(26)17-5-3-10-30-17/h3,5,10,13-14H,4,6-9,11-12H2,1-2H3,(H,23,26)(H2,22,24,31)
  • InChiKey: ZFXYHVQJLNAISY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2,5-dimethoxy-4-(3-morpholinopropylcarbamothioylamino)phenyl]furan-2-carboxamide
  • N-[2,5-dimethoxy-4-[[(3-morpholinopropylamino)-thioxomethyl]amino]phenyl]-2-furancarboxamide
  • N-[2,5-dimethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]-2-furamide
  • ASN 05048546

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) hypothetical protein 0.0031 0.0226 0.0226
Mycobacterium ulcerans hypothetical protein 0.0024 0 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0352 1 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0226 0.0226
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0635 0.0418
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0352 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.2279 0.2279
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0352 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0 0.5
Schistosoma mansoni transient receptor potential channel 0.0068 0.1335 0.1135
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0 0.5
Echinococcus granulosus transient receptor potential gamma protein 0.0101 0.2339 0.2162
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.1335 0.1135
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0635 0.0635
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0054 0.0909 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.1137 0.1137
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.2279 0.2279
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0635 0.0418
Loa Loa (eye worm) hypothetical protein 0.0039 0.0478 0.0478
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0 0.5
Schistosoma mansoni hypothetical protein 0.017 0.445 0.4321
Echinococcus granulosus TRP transient receptor potential channel 0.0039 0.0478 0.0257
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0635 0.0418
Schistosoma mansoni transient receptor potential channel 0.0068 0.1335 0.1135
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.1335 0.1135
Brugia malayi Transient-receptor-potential like protein 0.0039 0.0478 0.0478
Schistosoma mansoni transient receptor potential channel 4 0.0101 0.2339 0.2162
Echinococcus granulosus geminin 0.017 0.445 0.4321
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.2279 0.2279
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0226 0.0226
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.1335 0.1135
Loa Loa (eye worm) hypothetical protein 0.0101 0.2339 0.2339
Schistosoma mansoni transient receptor potential channel 0.0101 0.2339 0.2162
Schistosoma mansoni hypothetical protein 0.0067 0.1329 0.1128
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0635 0.0418
Loa Loa (eye worm) hypothetical protein 0.0067 0.1329 0.1329
Schistosoma mansoni hypothetical protein 0.017 0.445 0.4321
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0 0.5
Echinococcus granulosus transient receptor potential ion channel A 0.0094 0.2141 0.1959
Echinococcus multilocularis sodium channel protein 0.0054 0.0909 0.0698
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0635 0.0635
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.1335 0.1135
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0039 0.0478 0.0257
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0 0.5
Echinococcus granulosus sodium channel protein 0.0054 0.0909 0.0698
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0635 0.0418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0635 0.0418
Loa Loa (eye worm) hypothetical protein 0.0033 0.028 0.028
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0054 0.0909 0.0698
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0635 0.0418
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.2279 0.2279
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.1329 0.1329
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0226 0.0226
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0 0.5
Echinococcus multilocularis geminin 0.017 0.445 0.4321
Schistosoma mansoni serine/threonine protein kinase 0.0352 1 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0101 0.2339 0.2162
Echinococcus multilocularis transient receptor potential ion channel A 0.0094 0.2141 0.1959
Onchocerca volvulus 0.0024 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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
Homo sapiens ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.