Detailed information for compound 1294267

Basic information

Technical information
  • TDR Targets ID: 1294267
  • Name: N-[2,5-diethoxy-4-(furan-2-ylmethylcarbamothi oylamino)phenyl]cyclopropanecarboxamide
  • MW: 403.495 | Formula: C20H25N3O4S
  • H donors: 2 H acceptors: 1 LogP: 2.87 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(NC(=O)C2CC2)c(cc1N=C(NCc1ccco1)S)OCC
  • InChi: 1S/C20H25N3O4S/c1-3-25-17-11-16(23-20(28)21-12-14-6-5-9-27-14)18(26-4-2)10-15(17)22-19(24)13-7-8-13/h5-6,9-11,13H,3-4,7-8,12H2,1-2H3,(H,22,24)(H2,21,23,28)
  • InChiKey: VOGDODALYLQABL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2,5-diethoxy-4-(2-furylmethylcarbamothioylamino)phenyl]cyclopropanecarboxamide
  • N-[2,5-diethoxy-4-[[(2-furylmethylamino)-thioxomethyl]amino]phenyl]cyclopropanecarboxamide
  • N-[2,5-diethoxy-4-(2-furylmethylthiocarbamoylamino)phenyl]cyclopropanecarboxamide
  • ASN 04456683
  • ZINC00932593
  • Oprea1_593924
  • Cyclopropanecarboxylic acid [2,5-diethoxy-4-(3-furan-2-ylmethyl-thioureido)-phenyl]-amide
  • MLS000564445
  • SMR000172829

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
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) isocitrate dehydrogenase 0.0095 0.1876 0.1639
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0044 0.0283 0.043
Brugia malayi Pip kinase protein 2 0.0161 0.3972 0.3797
Echinococcus granulosus voltage gated potassium channel 0.0065 0.093 0.1145
Brugia malayi latrophilin 2 splice variant baaae 0.0169 0.4199 0.403
Loa Loa (eye worm) hypothetical protein 0.0194 0.5002 0.4856
Schistosoma mansoni hypothetical protein 0.0045 0.0316 0.048
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0078 0.1347 0.1884
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0867 0.1317
Schistosoma mansoni peptidase Clp (S14 family) 0.0078 0.1335 0.2029
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0095 0.1876 0.2851
Brugia malayi Latrophilin receptor protein 2 0.0078 0.1347 0.1095
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0078 0.1335 0.1862
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0078 0.1335 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0224 0.5932 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0247 0.6657 0.656
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0283 0.043
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.2069 1
Schistosoma mansoni voltage-gated potassium channel 0.0244 0.6579 1
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0161 0.3972 0.6038
Echinococcus multilocularis isocitrate dehydrogenase 0.0095 0.1876 0.282
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0209 0.5468 1
Plasmodium vivax ataxin-2 like protein, putative 0.0101 0.2069 1
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0161 0.3972 0.6531
Loa Loa (eye worm) hypothetical protein 0.0147 0.3511 0.3322
Schistosoma mansoni voltage-gated potassium channel 0.0065 0.093 0.1414
Loa Loa (eye worm) latrophilin receptor protein 2 0.0078 0.1347 0.1095
Loa Loa (eye worm) hypothetical protein 0.0065 0.093 0.0666
Brugia malayi hypothetical protein 0.0065 0.0942 0.0678
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0078 0.1347 0.1884
Schistosoma mansoni hypothetical protein 0.0078 0.1347 0.2048
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.2069 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0095 0.1876 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0867 0.1033
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0095 0.1876 0.7366
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0078 0.1347 0.1884
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0867 0.0601
Loa Loa (eye worm) hypothetical protein 0.0169 0.4199 0.403
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0867 0.1317
Loa Loa (eye worm) pip kinase 2 0.0161 0.3972 0.3797
Schistosoma mansoni voltage-gated potassium channel 0.0065 0.093 0.1414
Trypanosoma brucei PAB1-binding protein , putative 0.0101 0.2069 1
Loa Loa (eye worm) RNA binding protein 0.0063 0.0867 0.0601
Brugia malayi hypothetical protein 0.0147 0.3511 0.3322
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Onchocerca volvulus 0.0161 0.3972 1
Leishmania major hypothetical protein, conserved 0.0101 0.2069 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0209 0.5468 1
Loa Loa (eye worm) hypothetical protein 0.0161 0.3972 0.3797
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0283 0.043
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0224 0.5932 0.5813
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.4199 0.6383
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0247 0.6657 0.656
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Brugia malayi isocitrate dehydrogenase 0.0095 0.1876 0.1639
Echinococcus multilocularis GPCR, family 2 0.0078 0.1347 0.1884
Brugia malayi Isocitrate dehydrogenase 0.0095 0.1876 0.1639
Schistosoma mansoni voltage-gated potassium channel 0.0244 0.6579 1
Echinococcus multilocularis voltage gated potassium channel 0.0065 0.093 0.1145
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0867 0.1317
Schistosoma mansoni hypothetical protein 0.0078 0.1347 0.2048
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0065 0.093 0.1145
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0044 0.0283 0.043
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.1876 0.7366
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0095 0.1876 0.282
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.2069 1
Brugia malayi TAR-binding protein 0.0063 0.0867 0.0601
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0316 0.0058
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0065 0.093 0.0666
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0247 0.6657 0.656
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0095 0.1876 0.7366
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0161 0.3972 0.6531
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0078 0.1335 0.1862
Brugia malayi hypothetical protein 0.0101 0.2069 0.1838
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0095 0.1876 0.282
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0316 0.0058
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.0283 0.043
Echinococcus granulosus GPCR family 2 0.0078 0.1347 0.1884
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0493 0.0371
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0161 0.3972 0.6038
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0867 0.1033
Brugia malayi Probable ClpP-like protease 0.0078 0.1335 0.1083
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.2069 1
Brugia malayi RNA binding protein 0.0063 0.0867 0.0601
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0224 0.5932 0.5813
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0044 0.0283 0.043
Toxoplasma gondii isocitrate dehydrogenase 0.0095 0.1876 0.7366
Loa Loa (eye worm) hypothetical protein 0.0078 0.1335 0.1083
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0078 0.1347 0.1884
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0078 0.1347 0.1095
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0078 0.1335 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.1876 0.282
Schistosoma mansoni hypothetical protein 0.0078 0.1347 0.2048
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0867 0.1317
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0867 0.0601
Schistosoma mansoni hypothetical protein 0.0078 0.1347 0.2048
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0065 0.093 0.1145
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.1876 0.282
Toxoplasma gondii LsmAD domain-containing protein 0.0101 0.2069 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1347 0.1095
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0493 0.0371
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0867 0.0601
Loa Loa (eye worm) hypothetical protein 0.0101 0.2069 0.1838
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0867 0.1317
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0224 0.5932 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0095 0.1876 0.282
Loa Loa (eye worm) hypothetical protein 0.0247 0.6657 0.656

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0787 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 for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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