Detailed information for compound 1400772

Basic information

Technical information
  • TDR Targets ID: 1400772
  • Name: N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-etho xyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butan ediamide
  • MW: 458.574 | Formula: C23H30N4O4S
  • H donors: 2 H acceptors: 4 LogP: 2.74 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)N(C(=O)CCC(=O)Nc1scc(n1)C)CC(=O)NC1CCCC1
  • InChi: 1S/C23H30N4O4S/c1-3-31-19-10-8-18(9-11-19)27(14-21(29)25-17-6-4-5-7-17)22(30)13-12-20(28)26-23-24-16(2)15-32-23/h8-11,15,17H,3-7,12-14H2,1-2H3,(H,25,29)(H,24,26,28)
  • InChiKey: UBPZALXHDYPCGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-N'-(4-methylthiazol-2-yl)butanediamide
  • N-[2-(cyclopentylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)-N'-(4-methyl-2-thiazolyl)butanediamide
  • N-[2-(cyclopentylamino)-2-keto-ethyl]-N-(4-ethoxyphenyl)-N'-(4-methylthiazol-2-yl)succinamide
  • N-[2-(cyclopentylamino)-2-oxo-ethyl]-N-(4-ethoxyphenyl)-N'-(4-methyl-1,3-thiazol-2-yl)butanediamide
  • ASN 05566515

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 geminin, DNA replication inhibitor 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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0931 0.312
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0531 0.0252
Schistosoma mansoni hypothetical protein 0.0035 0.0531 0.0333
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0971 0.093
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1013 0.2127
Brugia malayi jmjC domain containing protein 0.0035 0.0539 0.0261
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0758 0.064
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.3663 0.3477
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0971 0.093
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0539 0.0344
Schistosoma mansoni hypothetical protein 0.0075 0.2213 0.2616
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0531 0.0252
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Schistosoma mansoni hypothetical protein 0.0205 0.7654 1
Leishmania major DNA polymerase eta, putative 0.0044 0.0931 0.312
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0971 0.093
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0186 0.6868 0.8933
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2984 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2984 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0931 0.0876
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1013 0.2127
Echinococcus granulosus jumonji domain containing protein 0.004 0.0758 0.064
Loa Loa (eye worm) hypothetical protein 0.0069 0.1955 0.1718
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2984 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.3663 0.3477
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0539 0.0344
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1569 0.1321
Schistosoma mansoni tsg101-related 0.0057 0.1474 0.1613
Brugia malayi jmjC domain containing protein 0.0094 0.3027 0.2822
Schistosoma mansoni kinase 0.0047 0.1065 0.1057
Loa Loa (eye worm) hypothetical protein 0.0149 0.5325 0.5188
Brugia malayi hypothetical protein 0.0069 0.1955 0.1718
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0381 1
Schistosoma mansoni tsg101-related 0.0047 0.1036 0.1018
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0931 0.312
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2984 1
Echinococcus granulosus geminin 0.0205 0.7654 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Giardia lamblia Kinase, PLK 0.0093 0.2984 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4014 0.3838
Plasmodium falciparum phd finger protein, putative 0.0029 0.0286 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0971 0.093
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.3027 0.372
Onchocerca volvulus 0.0149 0.5325 1
Echinococcus multilocularis GPCR, family 2 0.0035 0.0531 0.0333
Loa Loa (eye worm) hypothetical protein 0.0075 0.2213 0.1984
Leishmania major DNA polymerase eta, putative 0.0031 0.0381 0.1277
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0931 0.0664
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0531 0.0333
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2984 0.2778
Schistosoma mansoni hypothetical protein 0.0035 0.0531 0.0333
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2984 0.2778
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0286 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0971 0.093
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2984 0.3663
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0531 0.0333
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0539 0.0344
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0971 0.093
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2984 0.3663
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4014 0.3838
Schistosoma mansoni hypothetical protein 0.0035 0.0531 0.0333
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2984 0.3663
Schistosoma mansoni hypothetical protein 0.0035 0.0531 0.0333
Schistosoma mansoni DNA polymerase eta 0.0044 0.0931 0.0876
Echinococcus multilocularis dna polymerase eta 0.0044 0.0931 0.0876
Brugia malayi hypothetical protein 0.0149 0.5325 0.5188
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0381 0.1277
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0531 0.0252
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0069 0.1955 0.2265
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0971 0.0706
Echinococcus granulosus GPCR family 2 0.0035 0.0531 0.0333
Schistosoma mansoni tsg101-related 0.0057 0.1474 0.1613
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2984 0.5355
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0539 0.0261
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0539 0.0344
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0186 0.6868 0.8933
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0971 0.0706
Schistosoma mansoni jumonji domain containing protein 0.0075 0.2216 0.2619
Trypanosoma brucei polo-like protein kinase 0.0093 0.2984 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0531 0.0252
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Brugia malayi MH2 domain containing protein 0.0118 0.4014 0.3838
Schistosoma mansoni hypothetical protein 0.0205 0.7654 1
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.2213 0.1984
Echinococcus multilocularis geminin 0.0205 0.7654 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0931 0.0664
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2984 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0971 0.093
Loa Loa (eye worm) hypothetical protein 0.0049 0.1146 0.0886
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0069 0.1955 0.2265
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.3027 0.372

Activities

Activity type Activity value Assay description Source 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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