Detailed information for compound 1405700

Basic information

Technical information
  • TDR Targets ID: 1405700
  • Name: 2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3 -thiazol-5-yl]-N-(4-ethylphenyl)acetamide
  • MW: 386.511 | Formula: C20H26N4O2S
  • H donors: 2 H acceptors: 2 LogP: 3.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)NC(=O)CC1SC(=NC1=O)NN=C1CCCCCC1
  • InChi: 1S/C20H26N4O2S/c1-2-14-9-11-15(12-10-14)21-18(25)13-17-19(26)22-20(27-17)24-23-16-7-5-3-4-6-8-16/h9-12,17H,2-8,13H2,1H3,(H,21,25)(H,22,24,26)
  • InChiKey: STBSYYFRWCXJGE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(N'-cycloheptylidenehydrazino)-4-oxo-thiazol-5-yl]-N-(4-ethylphenyl)acetamide
  • 2-[2-(N'-cycloheptylidenehydrazino)-4-oxo-5-thiazolyl]-N-(4-ethylphenyl)acetamide
  • 2-[2-(N'-cycloheptylidenehydrazino)-4-keto-thiazol-5-yl]-N-(4-ethylphenyl)acetamide
  • 2-[2-(2-cycloheptylidenehydrazinyl)-4-oxo-1,3-thiazol-5-yl]-N-(4-ethylphenyl)ethanamide

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 SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0023 0.0435 0.0572
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0162 0.0213
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0162 0.0162
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0162 0.0213
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3398 0.3398
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0114 0.7615 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0114 0.7615 0.7615
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0023 0.0435 0.0572
Loa Loa (eye worm) hypothetical protein 0.0041 0.19 0.19
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.8437 1
Schistosoma mansoni hypothetical protein 0.0019 0.0162 0.0192
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0435 0.0435
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0435 0.0572
Loa Loa (eye worm) hypothetical protein 0.006 0.3398 0.3398
Brugia malayi Cyclic-nucleotide gated cation channel 0.0023 0.0435 0.0435
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0033 0.1258 0.1652
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.7026 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0023 0.0435 0.0572
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0162 0.0162
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0435 0.0516
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0033 0.1258 0.1652
Schistosoma mansoni voltage-gated potassium channel 0.0018 0.0076 0.009
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0023 0.0435 0.0572
Echinococcus granulosus voltage gated potassium channel 0.0033 0.1258 0.1652
Loa Loa (eye worm) hypothetical protein 0.0019 0.0162 0.0162
Schistosoma mansoni hypothetical protein 0.0041 0.19 0.2252
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0023 0.0435 0.0435
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0162 0.0213
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0106 0.7026 1
Schistosoma mansoni hypothetical protein 0.0019 0.0162 0.0192
Loa Loa (eye worm) hypothetical protein 0.0023 0.0435 0.0435
Schistosoma mansoni hypothetical protein 0.0019 0.0162 0.0192
Echinococcus granulosus GPCR family 2 0.0019 0.0162 0.0213
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.1258 0.1258
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.1258 0.1491
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0435 0.0516
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0435 0.0572
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.0435 0.0516
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0435 0.0516
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.1258 0.1491
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0114 0.7615 0.7615
Echinococcus multilocularis hyperpolarization activated cyclic 0.0023 0.0435 0.0572
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3398 0.3398
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0023 0.0435 0.0572
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0023 0.0435 0.0516
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0099 0.6433 0.6433
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0114 0.7615 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0162 0.0213
Loa Loa (eye worm) hypothetical protein 0.0033 0.1258 0.1258
Schistosoma mansoni hypothetical protein 0.0019 0.0162 0.0192
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0023 0.0435 0.0516
Schistosoma mansoni 60S ribosomal protein L21 0.0018 0.0076 0.009
Schistosoma mansoni voltage-gated potassium channel 0.0124 0.8437 1
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0023 0.0435 0.0572
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.19 0.19
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3398 0.3398
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0435 0.0572
Echinococcus multilocularis voltage gated potassium channel 0.0033 0.1258 0.1652
Echinococcus multilocularis GPCR, family 2 0.0019 0.0162 0.0213
Echinococcus granulosus hyperpolarization activated cyclic 0.0023 0.0435 0.0572

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.526 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.

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