Detailed information for compound 1405048

Basic information

Technical information
  • TDR Targets ID: 1405048
  • Name: [2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl ] 4-(4-methylphenyl)-4-oxobutanoate
  • MW: 402.828 | Formula: C20H19ClN2O5
  • H donors: 2 H acceptors: 4 LogP: 2.87 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NNC(=O)c1ccccc1Cl)COC(=O)CCC(=O)c1ccc(cc1)C
  • InChi: 1S/C20H19ClN2O5/c1-13-6-8-14(9-7-13)17(24)10-11-19(26)28-12-18(25)22-23-20(27)15-4-2-3-5-16(15)21/h2-9H,10-12H2,1H3,(H,22,25)(H,23,27)
  • InChiKey: VOIVEZAOHRWIRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[N'-(2-chlorobenzoyl)hydrazino]-2-oxo-ethyl] 4-(4-methylphenyl)-4-oxo-butanoate
  • 4-(4-methylphenyl)-4-oxobutanoic acid [2-[N'-[(2-chlorophenyl)-oxomethyl]hydrazino]-2-oxoethyl] ester
  • 4-keto-4-(4-methylphenyl)butyric acid [2-[N'-(2-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester
  • [2-[2-(2-chlorophenyl)carbonylhydrazinyl]-2-oxo-ethyl] 4-(4-methylphenyl)-4-oxo-butanoate
  • T5418442
  • ZINC07007278

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0036 0.058 1
Toxoplasma gondii histone deacetylase SIR2-like 0.0036 0.058 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Brugia malayi transcriptional regulator, Sir2 family protein 0.0036 0.058 0.0242
Echinococcus multilocularis chromatin regulatory protein sir2 0.0036 0.058 0.0493
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1344 0.1264
Leishmania major sir2-family protein-like protein 0.0036 0.058 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0036 0.058 0.0493
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0036 0.058 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0036 0.058 0.0242
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2013 0.1939
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1344 0.1264
Loa Loa (eye worm) transcriptional regulator 0.0036 0.058 0.058
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0036 0.058 1
Loa Loa (eye worm) transcriptional regulator 0.0036 0.058 0.058
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0036 0.058 1
Mycobacterium ulcerans Sir2-like regulatory protein 0.0036 0.058 0.5
Schistosoma mansoni hypothetical protein 0.0025 0.0142 0.0051
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0036 0.058 0.0493
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0036 0.058 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0142 0.0142
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1344 0.1264
Loa Loa (eye worm) hypothetical protein 0.0046 0.0991 0.0991
Schistosoma mansoni bromodomain containing protein 0.0076 0.2184 0.2112
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Brugia malayi hypothetical protein 0.003 0.0361 0.0015
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0234 0.0143
Loa Loa (eye worm) hypothetical protein 0.0049 0.1105 0.1105
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0036 0.058 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1344 0.1264
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0036 0.058 1
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0036 0.058 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0361 0.0361
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Plasmodium vivax NAD-dependent deacetylase, putative 0.0036 0.058 1
Mycobacterium ulcerans NAD-dependent deacetylase 0.0036 0.058 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0234 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1344 0.1264
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0036 0.058 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.1196 0.1196
Entamoeba histolytica hypothetical protein, conserved 0.0036 0.058 0.5
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0036 0.058 0.0493
Loa Loa (eye worm) sirtuin 4 0.0036 0.058 0.058
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1344 0.1264
Brugia malayi transcriptional regulator, Sir2 family protein 0.0036 0.058 0.0242
Toxoplasma gondii histone deacetylase SIR2 0.0036 0.058 1
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Brugia malayi Bromodomain containing protein 0.0046 0.0988 0.0664
Plasmodium vivax hypothetical protein, conserved 0.0036 0.058 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0036 0.058 0.0493
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0875 0.079
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1344 0.1033
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0036 0.058 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0036 0.058 0.0493
Leishmania major silent information regulator 2, putative 0.0036 0.058 1
Loa Loa (eye worm) transcriptional regulator 0.0036 0.058 0.058
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0036 0.058 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0234 0.0143
Brugia malayi Bromodomain containing protein 0.0091 0.2745 0.2484
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Echinococcus granulosus chromatin regulatory protein sir2 0.0036 0.058 0.0493
Loa Loa (eye worm) hypothetical protein 0.0085 0.254 0.254
Loa Loa (eye worm) hypothetical protein 0.0238 0.8574 0.8574
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2013 0.1939
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0875 0.079
Schistosoma mansoni chromatin regulatory protein sir2 0.0036 0.058 0.0493
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0036 0.058 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0036 0.058 0.0493
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0036 0.058 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1344 0.1344
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1344 0.1264
Trypanosoma brucei SIR2-like protein 4, putative 0.0036 0.058 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0036 0.058 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.5615 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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