Detailed information for compound 1283140

Basic information

Technical information
  • TDR Targets ID: 1283140
  • Name: 2-bromo-N'-(4-chlorobenzoyl)benzohydrazide
  • MW: 353.598 | Formula: C14H10BrClN2O2
  • H donors: 2 H acceptors: 2 LogP: 3.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)NNC(=O)c1ccccc1Br
  • InChi: 1S/C14H10BrClN2O2/c15-12-4-2-1-3-11(12)14(20)18-17-13(19)9-5-7-10(16)8-6-9/h1-8H,(H,17,19)(H,18,20)
  • InChiKey: JMJAHYAWVPWQOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-bromo-N'-[(4-chlorophenyl)-oxomethyl]benzohydrazide
  • 2-bromo-N'-(4-chlorophenyl)carbonyl-benzohydrazide
  • ST034957
  • MLS000579130
  • SMR000186718
  • ZINC01087094
  • ARONIS020474

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
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 mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
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
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
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
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
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
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.044 0.044
Trichomonas vaginalis set domain proteins, putative 0.0286 0.263 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0296 0.0296
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.044 0.1675
Trypanosoma cruzi bromodomain factor 2 protein 0.0004 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0476 0.0476
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0476 0.0476
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0284 0.0284
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0296 0.0296
Loa Loa (eye worm) hypothetical protein 0.0036 0.0296 0.0296
Trypanosoma brucei Bromodomain factor 1 0.0004 0 0.5
Trypanosoma cruzi Bromodomain, putative 0.0004 0 0.5
Loa Loa (eye worm) acetyltransferase 0.0175 0.1594 0.1594
Onchocerca volvulus 0.0286 0.263 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0476 0.0476
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.044 1
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0005 0.0006 0.0022
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1548 0.1548
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1594 0.1594
Trypanosoma brucei bromodomain factor 2 protein, putative 0.0004 0 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.2306 0.2306
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1076 1 1
Trypanosoma cruzi bromodomain-containing protein 3 0.0004 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1594 0.1594
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0476 0.0476
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0005 0.0006 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0296 0.0296
Entamoeba histolytica ankyrin repeat protein, putative 0.0004 0.000000014093 0.00000035201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0296 0.0296
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.04 1
Trypanosoma cruzi Bromodomain, putative 0.0004 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.044 1
Leishmania major hypothetical protein, conserved,predicted bromodomain protein 0.0004 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0476 0.0476
Trypanosoma cruzi Bromodomain factor 1 0.0004 0 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.044 0.1675
Schistosoma mansoni serine/threonine protein kinase 0.1076 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0004 0 0.5
Trypanosoma cruzi Bromodomain, putative 0.0004 0 0.5
Trypanosoma brucei Bromodomain, putative 0.0004 0 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1594 0.1594
Trypanosoma brucei Bromodomain, putative 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Leishmania major DNA-binding protein, putative,predicted bromodomain protein 0.0004 0 0.5
Trypanosoma cruzi Bromodomain, putative 0.0004 0 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1076 1 1
Toxoplasma gondii bromodomain-containing protein 0.0004 0.000000014093 0.00000032002
Plasmodium falciparum bromodomain protein 1 0.0004 0.000000014093 0.00000035201
Plasmodium vivax hypothetical protein, conserved 0.0004 0.000000014093 0.00000032002
Onchocerca volvulus 0.0036 0.0296 0.1127
Trypanosoma brucei Bromodomain, putative 0.0004 0 0.5
Leishmania major hypothetical protein, conserved 0.0004 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0476 0.0476
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1076 1 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0296 0.6731
Trypanosoma cruzi Bromodomain, putative 0.0004 0 0.5
Trypanosoma brucei AAA ATPase, putative 0.0004 0 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0006 0.0012 0.0281
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2306 0.2306
Plasmodium vivax SET domain containing protein 0.0006 0.0012 0.0281
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0296 0.0296
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0476 0.0476
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.044 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0296 0.0296
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0476 0.0476
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0296 0.6731
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.04 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.04 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0476 0.0476

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2617 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) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 10 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) 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) 26.8545 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) 29.0929 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

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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