Detailed information for compound 1409893

Basic information

Technical information
  • TDR Targets ID: 1409893
  • Name: N-[2-(cyclopentylamino)-1-furan-2-yl-2-oxoeth yl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4- carboxamide
  • MW: 438.543 | Formula: C23H26N4O3S
  • H donors: 1 H acceptors: 4 LogP: 3.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N(C(=O)c1csnn1)CCc1ccccc1C)c1ccco1)NC1CCCC1
  • InChi: 1S/C23H26N4O3S/c1-16-7-2-3-8-17(16)12-13-27(23(29)19-15-31-26-25-19)21(20-11-6-14-30-20)22(28)24-18-9-4-5-10-18/h2-3,6-8,11,14-15,18,21H,4-5,9-10,12-13H2,1H3,(H,24,28)
  • InChiKey: DXHPVKNMABQCQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(cyclopentylamino)-1-(2-furyl)-2-oxo-ethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-1-(2-furyl)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]-4-thiadiazolecarboxamide
  • N-[2-(cyclopentylamino)-1-(2-furyl)-2-keto-ethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-1-furan-2-yl-2-oxo-ethyl]-N-[2-(2-methylphenyl)ethyl]-1,2,3-thiadiazole-4-carboxamide
  • ASN 06566238

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
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
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2602 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0024 0.0003 0.0003
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4281 0.4281
Brugia malayi Probable ClpP-like protease 0.0094 0.2602 0.9558
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0669 0.0669
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0074 0.1843 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0142 0.0142
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.2602 1
Plasmodium vivax DNA polymerase alpha, putative 0.0044 0.0736 0.1773
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0142 0.0142
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0003 0.0003
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0054 0.1107 0.1025
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0027 0.0142 0.0142
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.141 0.4744
Echinococcus multilocularis hypothetical protein 0.0097 0.2689 1
Echinococcus granulosus DNA polymerase subunit gamma 0.0097 0.2689 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2602 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0027 0.0142 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.2602 0.2612
Entamoeba histolytica hypothetical protein, conserved 0.0027 0.0142 0.5
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.141 0.498
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.2602 0.9661
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.4861 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.2602 1
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0003 0.0003
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0044 0.0736 0.1773
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.2602 0.5
Schistosoma mansoni DNA polymerase gamma 0.0097 0.2689 0.2703
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0027 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0097 0.2689 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.4281 0.4281
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.4281 0.4281
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.0142 0.0142
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Mycobacterium ulcerans hypothetical protein 0.0156 0.4861 1
Trypanosoma brucei RNA helicase, putative 0.0284 0.9562 0.9562
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 1 1
Giardia lamblia DNA polymerase alpha subunit A 0.0045 0.0806 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.0142 0.0142
Loa Loa (eye worm) hypothetical protein 0.0094 0.2602 0.8979
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0054 0.1107 0.3791
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0669 0.0669
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2602 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0669 0.0669
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2602 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2602 1
Trypanosoma brucei unspecified product 0.0024 0.0003 0.0003
Trypanosoma brucei ingi protein (ORF1) 0.0024 0.0003 0.0003
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.141 0.498
Toxoplasma gondii hypothetical protein 0.0048 0.0893 0.2465
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0027 0.0142 0.0142
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2602 0.5
Brugia malayi DNA polymerase I family protein 0.0097 0.2689 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0142 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1003 0.1003
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.2602 0.9661
Schistosoma mansoni hypothetical protein 0.0284 0.9562 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0669 0.0669
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0054 0.1107 0.3791

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 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) 3.1623 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 100 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
Homo sapiens 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.