Detailed information for compound 1367732

Basic information

Technical information
  • TDR Targets ID: 1367732
  • Name: N-(3-chloro-4-methylphenyl)-2-[2-(4-methoxybe nzoyl)hydrazinyl]-2-oxoacetamide
  • MW: 361.78 | Formula: C17H16ClN3O4
  • H donors: 3 H acceptors: 3 LogP: 3.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NNC(=O)C(=O)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C17H16ClN3O4/c1-10-3-6-12(9-14(10)18)19-16(23)17(24)21-20-15(22)11-4-7-13(25-2)8-5-11/h3-9H,1-2H3,(H,19,23)(H,20,22)(H,21,24)
  • InChiKey: VZZGLGIEVSJJQX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-methyl-phenyl)-2-[N'-(4-methoxybenzoyl)hydrazino]-2-oxo-acetamide
  • N-(3-chloro-4-methylphenyl)-2-[N'-[(4-methoxyphenyl)-oxomethyl]hydrazino]-2-oxoacetamide
  • N-(3-chloro-4-methyl-phenyl)-2-keto-2-[N'-(4-methoxybenzoyl)hydrazino]acetamide
  • N-(3-chloro-4-methyl-phenyl)-2-[2-(4-methoxyphenyl)carbonylhydrazinyl]-2-oxo-ethanamide
  • MLS000712752
  • SMR000282519
  • BAS 00753308
  • ZINC04838879

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 brucei serine peptidase, Clan SC, Family S9B 0.0215 0.2219 0.5564
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0238 0.019
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0073 0.0438 0.039
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0073 0.0438 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0339 0.029
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0157 0.1485 0.3271
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0071 0.0022
Brugia malayi prolyl oligopeptidase family protein 0.0581 0.6819 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0215 0.2219 0.5564
Brugia malayi mbt repeat family protein 0.0058 0.0238 0.0279
Schistosoma mansoni hypothetical protein 0.0205 0.2088 0.2049
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0238 0.019
Brugia malayi mbt repeat family protein 0.0058 0.0238 0.0279
Trypanosoma cruzi oligopeptidase b 0.0157 0.1485 0.3271
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0581 0.6819 0.6803
Schistosoma mansoni hypothetical protein 0.0205 0.2088 0.2049
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0074 0.0024
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0073 0.0438 0.039
Echinococcus multilocularis geminin 0.0205 0.2088 0.2049
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0964 0.0919
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.006 0.0011
Schistosoma mansoni hypothetical protein 0.035 0.392 0.389
Echinococcus multilocularis prolyl endopeptidase 0.0328 0.3638 0.3607
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0074 0.0024
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0215 0.2219 0.5564
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0328 0.3638 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0071 0.0022
Giardia lamblia Alanyl dipeptidyl peptidase 0.0073 0.0438 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0581 0.6819 0.6803
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0581 0.6819 0.6803
Loa Loa (eye worm) hypothetical protein 0.0073 0.0438 0.0642
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi prolyl oligopeptidase family protein 0.0073 0.0438 0.0573
Brugia malayi hypothetical protein 0.0043 0.006 0.0015
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0071 0.0104
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0215 0.2219 0.218
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0339 0.0427
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.006 0.0011
Plasmodium falciparum peptidase, putative 0.0073 0.0438 0.5
Loa Loa (eye worm) hypothetical protein 0.0073 0.0438 0.0642
Loa Loa (eye worm) hypothetical protein 0.0142 0.1294 0.1898
Brugia malayi prolyl oligopeptidase family protein 0.0215 0.2219 0.3204
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0074 0.0109
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0581 0.6819 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0964 0.0919
Trypanosoma cruzi prolyl endopeptidase 0.0328 0.3638 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.013 0.0081
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0666 0.062
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0238 0.019
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0215 0.2219 0.5564
Onchocerca volvulus Prolyl endopeptidase homolog 0.0328 0.3638 0.5167
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0238 0.019
Toxoplasma gondii prolyl endopeptidase 0.0328 0.3638 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0339 0.029
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0071 0.0022
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0157 0.1485 0.5
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0073 0.0438 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0238 0.019
Loa Loa (eye worm) hypothetical protein 0.0328 0.3638 0.5336
Loa Loa (eye worm) hypothetical protein 0.0066 0.0339 0.0497
Brugia malayi jmjC domain containing protein 0.0115 0.0964 0.1351
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0157 0.1485 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0071 0.0022
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0073 0.0438 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.237 0.2332
Loa Loa (eye worm) MBCTL1 0.0066 0.0339 0.0497
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0254 0.2714 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0215 0.2219 0.5564
Trypanosoma brucei prolyl oligopeptidase, putative 0.0157 0.1485 0.3271
Trypanosoma cruzi oligopeptidase b 0.0157 0.1485 0.3271
Echinococcus multilocularis acylamino acid releasing enzyme 0.0073 0.0438 0.039
Entamoeba histolytica prolyl oligopeptidase family protein 0.0073 0.0438 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0238 0.035
Loa Loa (eye worm) prolyl oligopeptidase 0.0073 0.0438 0.0642
Schistosoma mansoni hypothetical protein 0.0043 0.006 0.0011
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0157 0.1485 0.3271
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0328 0.3638 0.3607
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.237 0.2332
Brugia malayi hypothetical protein 0.0142 0.1294 0.1839
Giardia lamblia Alanyl dipeptidyl peptidase 0.0073 0.0438 0.5
Trypanosoma brucei prolyl endopeptidase 0.0328 0.3638 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0071 0.0022
Entamoeba histolytica prolyl oligopeptidase family protein 0.0073 0.0438 1
Brugia malayi prolyl oligopeptidase family protein 0.0328 0.3638 0.5302
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0073 0.0438 1
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0157 0.1485 0.3271
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0238 0.019
Entamoeba histolytica hypothetical protein, conserved 0.0073 0.0438 1
Echinococcus granulosus acylamino acid releasing enzyme 0.0073 0.0438 0.039
Loa Loa (eye worm) hypothetical protein 0.006 0.0273 0.04
Loa Loa (eye worm) prolyl oligopeptidase 0.0581 0.6819 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0071 0.0032
Loa Loa (eye worm) hypothetical protein 0.0058 0.0238 0.035
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0328 0.3638 0.3607
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0238 0.019
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0074 0.0036
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0339 0.029
Echinococcus granulosus geminin 0.0205 0.2088 0.2049
Entamoeba histolytica prolyl oligopeptidase family protein 0.0073 0.0438 1
Plasmodium vivax hypothetical protein, conserved 0.0073 0.0438 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0339 0.029
Echinococcus granulosus Dipeptidyl peptidase 9 0.0215 0.2219 0.218
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0071 0.0022
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.013 0.0081
Echinococcus granulosus prolyl endopeptidase 0.0328 0.3638 0.3607
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0126 0.0076
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0215 0.2219 0.218
Trypanosoma brucei oligopeptidase b 0.0157 0.1485 0.3271
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0428 0.0628
Brugia malayi prolyl oligopeptidase family protein 0.0073 0.0438 0.0573
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0438 1
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0126 0.0076
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0071 0.0022
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.006 0.0011
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0339 0.029
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0215 0.2219 0.3407
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.005 0.0073

Activities

Activity type Activity value Assay description Source Reference
EC50 (ADMET) = 0.06 um PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect hERG from block by proarrhythmic agents. (Class of assay: confirmatory) [Related pubchem assays: 1511 (Primary HTS assay for 305616 compounds.)] ChEMBL. No reference
Potency (functional) 1.8349 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 3.1623 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 4.6109 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8048 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) 12.5893 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 39.8107 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) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

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