Detailed information for compound 1614849

Basic information

Technical information
  • TDR Targets ID: 1614849
  • Name: N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hyd razinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]ace tamide
  • MW: 376.884 | Formula: C16H13ClN4OS2
  • H donors: 2 H acceptors: 2 LogP: 4.42 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1sc(nc1c1cccs1)N/N=C\c1ccccc1Cl
  • InChi: 1S/C16H13ClN4OS2/c1-10(22)19-15-14(13-7-4-8-23-13)20-16(24-15)21-18-9-11-5-2-3-6-12(11)17/h2-9H,1H3,(H,19,22)(H,20,21)/b18-9-
  • InChiKey: UGEVKEQAVXQQIO-NVMNQCDNSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-[(N'Z)-N'-[(2-chlorophenyl)methylene]hydrazino]-4-(2-thienyl)thiazol-5-yl]acetamide
  • N-[2-[(N'Z)-N'-[(2-chlorophenyl)methylene]hydrazino]-4-(2-thienyl)-5-thiazolyl]acetamide
  • N-[2-[(N'Z)-N'-(2-chlorobenzylidene)hydrazino]-4-(2-thienyl)thiazol-5-yl]acetamide
  • N-[2-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanamide
  • STOCK3S-54759

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

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 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi zinc carboxypeptidase, putative 0.0124 0.1096 0.5
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Loa Loa (eye worm) hypothetical protein 0.006 0.0429 0.0709
Echinococcus granulosus subfamily M14A unassigned peptidase 0.0724 0.7342 1
Echinococcus multilocularis cytosolic carboxypeptidase protein 5 0.0124 0.1096 0.1096
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Echinococcus granulosus cytosolic carboxypeptidase 1 0.0124 0.1096 0.1493
Schistosoma mansoni peptidase 0.0124 0.1096 0.1493
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Schistosoma mansoni intermediate filament proteins 0.0033 0.0141 0.0192
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Onchocerca volvulus 0.0724 0.7342 1
Loa Loa (eye worm) zinc carboxypeptidase 0.0124 0.1096 0.1812
Onchocerca volvulus 0.0124 0.1096 0.1327
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0429 0.2518
Echinococcus granulosus lamin dm0 0.0033 0.0141 0.0192
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Echinococcus multilocularis 0.0124 0.1096 0.1096
Echinococcus multilocularis lamin 0.0033 0.0141 0.0141
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14 0.0124 0.1096 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0141 0.0192
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.06 0.6047 1
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0141 0.0827
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0124 0.1096 0.5
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0124 0.1096 0.5
Schistosoma mansoni subfamily M14A unassigned peptidase (M14 family) 0.0724 0.7342 1
Echinococcus multilocularis subfamily M14A unassigned peptidase 0.0724 0.7342 0.7342
Onchocerca volvulus 0.0724 0.7342 1
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Schistosoma mansoni protease m14 carboxypeptidase 0.0124 0.1096 0.1493
Onchocerca volvulus Cytosolic carboxypeptidase 1 homolog 0.0124 0.1096 0.1327
Schistosoma mansoni metallocarboxypeptidase D peptidase unit 2 (M14 family) 0.0124 0.1096 0.1493
Echinococcus multilocularis lamin dm0 0.0033 0.0141 0.0141
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0124 0.1096 0.5
Toxoplasma gondii zinc carboxypeptidase superfamily protein 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.023 0.0381
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.0141 0.0233
Onchocerca volvulus 0.0724 0.7342 1
Schistosoma mansoni hypothetical protein 0.0043 0.0254 0.0346
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1702 0.2815
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0124 0.1096 0.5
Schistosoma mansoni lamin 0.0033 0.0141 0.0192
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0124 0.1096 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0254 0.0254
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0254 0.0346
Trypanosoma brucei Carboxypeptidase-like protein 0.0124 0.1096 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Onchocerca volvulus Carboxypeptidase D homolog 0.0124 0.1096 0.1327
Schistosoma mansoni peptidase 0.0124 0.1096 0.1493
Trypanosoma cruzi Carboxypeptidase-like protein 0.0124 0.1096 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0141 0.0233
Loa Loa (eye worm) zinc carboxypeptidase 0.0124 0.1096 0.1812
Onchocerca volvulus 0.0724 0.7342 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Brugia malayi Carboxypeptidase A2 precursor 0.0124 0.1096 0.6439
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0429 0.0709
Toxoplasma gondii flagellar/basal body protein 0.0124 0.1096 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) zinc carboxypeptidase 0.0124 0.1096 0.1812
Schistosoma mansoni peptidase 0.0124 0.1096 0.1493
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.0135 0.0223
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Brugia malayi hypothetical protein 0.0182 0.1702 1
Echinococcus granulosus Zinc carboxypeptidase family protein 0.0124 0.1096 0.1493
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Schistosoma mansoni lamin 0.0033 0.0141 0.0192
Loa Loa (eye worm) zinc carboxypeptidase 0.0124 0.1096 0.1812
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Giardia lamblia Nuclear ATP/GTP-binding protein 0.0124 0.1096 0.5
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Trypanosoma cruzi metallo-peptidase, Clan MC, Family M14, putative 0.0124 0.1096 0.5
Plasmodium vivax hypothetical protein, conserved 0.0124 0.1096 0.5
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0141 0.0233
Onchocerca volvulus Subfamily M14A unassigned peptidase homolog 0.0724 0.7342 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0429 0.2518
Echinococcus granulosus lamin 0.0033 0.0141 0.0192
Schistosoma mansoni family M14 non-peptidase homologue (M14 family) 0.0124 0.1096 0.1493
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0254 0.0346
Entamoeba histolytica hypothetical protein 0.0043 0.0254 0.5
Onchocerca volvulus 0.0182 0.1702 0.2168
Brugia malayi Zinc carboxypeptidase family protein 0.0124 0.1096 0.6439
Echinococcus multilocularis Zinc carboxypeptidase family protein 0.0124 0.1096 0.1096
Echinococcus granulosus cytosolic carboxypeptidase protein 5 0.0124 0.1096 0.1493
Brugia malayi intermediate filament protein 0.0033 0.0141 0.0827
Schistosoma mansoni carboxypeptidase N (M14 family) 0.0124 0.1096 0.1493
Onchocerca volvulus 0.0124 0.1096 0.1327
Brugia malayi hypothetical protein 0.0043 0.0254 0.1493
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Trichomonas vaginalis Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase 0.0124 0.1096 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.023 0.0314
Schistosoma mansoni hypothetical protein 0.0124 0.1096 0.1493
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.023 0.1353
Toxoplasma gondii zinc carboxypeptidase, putative 0.0124 0.1096 0.5
Trypanosoma brucei metallo-peptidase, Clan MC, Family M14, putative 0.0124 0.1096 0.5
Echinococcus multilocularis musashi 0.0033 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0124 0.1096 0.1812
Leishmania major zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14 0.0124 0.1096 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.9093 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.7157 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) 16.5113 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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