Detailed information for compound 1400431

Basic information

Technical information
  • TDR Targets ID: 1400431
  • Name: N-[3-[(5-tert-butyl-2-methoxyphenyl)amino]-3- oxopropyl]furan-2-carboxamide
  • MW: 344.405 | Formula: C19H24N2O4
  • H donors: 2 H acceptors: 2 LogP: 3.05 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CCNC(=O)c1ccco1)C(C)(C)C
  • InChi: 1S/C19H24N2O4/c1-19(2,3)13-7-8-15(24-4)14(12-13)21-17(22)9-10-20-18(23)16-6-5-11-25-16/h5-8,11-12H,9-10H2,1-4H3,(H,20,23)(H,21,22)
  • InChiKey: MAWARSSWZGAQGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-[(5-tert-butyl-2-methoxy-phenyl)amino]-3-oxo-propyl]furan-2-carboxamide
  • N-[3-[(5-tert-butyl-2-methoxyphenyl)amino]-3-oxopropyl]-2-furancarboxamide
  • N-[3-[(5-tert-butyl-2-methoxy-phenyl)amino]-3-keto-propyl]-2-furamide
  • ZINC05509523
  • T5348655

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0317 0.095
Trichomonas vaginalis chromobox protein, putative 0.007 0.0615 1
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.056 0.7217 1
Loa Loa (eye worm) transcription factor SMAD2 0.0113 0.1189 0.1647
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0154 0.1747 0.1747
Schistosoma mansoni cathepsin D (A01 family) 0.0032 0.0103 0.0285
Loa Loa (eye worm) calcium channel 0.0154 0.1747 0.242
Plasmodium vivax plasmepsin IV, putative 0.0032 0.0103 1
Plasmodium vivax aspartyl proteinase, putative 0.0032 0.0103 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0154 0.1747 0.5244
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0154 0.1747 0.242
Plasmodium falciparum plasmepsin VI 0.0032 0.0103 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0032 0.0103 0.0142
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0615 0.0853
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.056 0.7217 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0103 0.0142
Schistosoma mansoni serine-rich repeat protein 0.0054 0.0397 0.1098
Trichomonas vaginalis chromobox protein, putative 0.007 0.0615 1
Loa Loa (eye worm) MBCTL1 0.0055 0.0406 0.0563
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0105 0.1079 0.1079
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0032 0.0103 0.2621
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0239 0.3889
Echinococcus multilocularis voltage dependent calcium channel 0.0154 0.1747 0.1747
Toxoplasma gondii transporter, cation channel family protein 0.0054 0.0392 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0154 0.1747 0.4837
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0317 0.0317
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0406 0.0406
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0406 0.1125
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0222 0.0308
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0317 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0044 0.0713
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0199 0.6286
Loa Loa (eye worm) hypothetical protein 0.0041 0.0222 0.0308
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0154 0.1747 0.5244
Loa Loa (eye worm) hypothetical protein 0.0047 0.0305 0.0422
Echinococcus granulosus chromobox protein 1 0.007 0.0615 0.1847
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0199 0.3234
Brugia malayi Cache domain containing protein 0.0046 0.0292 0.0405
Loa Loa (eye worm) voltage-dependent calcium channel 0.0054 0.0392 0.0543
Onchocerca volvulus 0.0048 0.0317 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0239 0.3889
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.01 0.1021 0.2828
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0054 0.0392 1
Brugia malayi mbt repeat family protein 0.0048 0.0317 0.0439
Echinococcus granulosus chromobox protein 1 0.007 0.0615 0.1847
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0317 0.0317
Brugia malayi mbt repeat family protein 0.0048 0.0317 0.0439
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0199 0.3234
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0317 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0406 0.0563
Echinococcus multilocularis voltage dependent calcium channel subunit 0.023 0.277 0.277
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0406 0.122
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0154 0.1747 0.4837
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0032 0.0103 0.0285
Loa Loa (eye worm) MH2 domain-containing protein 0.0113 0.1189 0.1647
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.2224 0.6676
Loa Loa (eye worm) hypothetical protein 0.0154 0.1747 0.242
Loa Loa (eye worm) hypothetical protein 0.0046 0.0292 0.0405
Schistosoma mansoni voltage-gated cation channel 0.0154 0.1747 0.4837
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0044 0.0713
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0317 0.0877
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0032 0.0103 0.0309
Loa Loa (eye worm) hypothetical protein 0.0054 0.0392 0.0543
Schistosoma mansoni chromobox protein 0.007 0.0615 0.1704
Echinococcus multilocularis high voltage activated calcium channel beta 0.0272 0.3331 0.3331
Echinococcus granulosus high voltage activated calcium channel beta 0.0272 0.3331 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0199 0.0276
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0479 0.0664
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0032 0.0103 0.0103
Echinococcus multilocularis voltage dependent calcium channel 0.0154 0.1747 0.1747
Schistosoma mansoni hypothetical protein 0.0293 0.3611 1
Brugia malayi Heterochromatin protein 1 0.007 0.0615 0.0853
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0032 0.0103 0.167
Loa Loa (eye worm) hypothetical protein 0.0047 0.0305 0.0422
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0406 0.0406
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0239 0.756
Echinococcus granulosus voltage dependent calcium channel subunit 0.023 0.277 0.8315
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0051 0.035 0.0969
Echinococcus granulosus voltage dependent calcium channel subunit 0.0105 0.1079 0.3238
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0154 0.1747 0.1747
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.2224 0.2224
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0479 0.0664
Echinococcus granulosus voltage dependent calcium channel 0.0054 0.0392 0.1177
Toxoplasma gondii hypothetical protein 0.0047 0.0305 0.7772
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0317 0.0877
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0406 0.122
Brugia malayi chromobox protein homolog 3 0.0039 0.0199 0.0276
Plasmodium falciparum plasmepsin I 0.0032 0.0103 1
Echinococcus granulosus voltage dependent calcium channel 0.0154 0.1747 0.5244
Plasmodium falciparum plasmepsin II 0.0032 0.0103 1
Onchocerca volvulus 0.0031 0.0084 0.2661
Loa Loa (eye worm) hypothetical protein 0.0048 0.0317 0.0439
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0479 0.0664
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0317 0.0877
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0406 0.0563
Echinococcus multilocularis chromobox protein 1 0.007 0.0615 0.0615
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0154 0.1747 0.1747
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0272 0.3331 0.9225
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0317 0.095
Schistosoma mansoni chromobox protein 0.007 0.0615 0.1704
Toxoplasma gondii aspartyl protease ASP1 0.0032 0.0103 0.2621
Schistosoma mansoni hypothetical protein 0.0054 0.0397 0.1098
Schistosoma mansoni hypothetical protein 0.0041 0.0222 0.0616
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0154 0.1747 0.5244
Echinococcus multilocularis chromobox protein 1 0.007 0.0615 0.0615
Brugia malayi MH2 domain containing protein 0.0113 0.1189 0.1647
Plasmodium falciparum plasmepsin IV 0.0032 0.0103 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0479 0.0664
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0054 0.0392 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0084 0.0117
Schistosoma mansoni cathepsin D (A01 family) 0.0032 0.0103 0.0285
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0154 0.1747 0.1747

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 10.4179 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) 13.1154 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) 25.929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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.