TDR Targets

Basic information

Technical information

TDR Targets ID: 1588066
Name: 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohy drazide
MW: 323.185 | Formula: C14H15BrN2O2
H donors: 2 H acceptors: 2 LogP: 2.88 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Brc1cccc(c1)C(=O)NNC(=O)C1CCC=CC1
InChi: 1S/C14H15BrN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-2,4,7-10H,3,5-6H2,(H,16,18)(H,17,19)
InChiKey: FUBHTVBRAPZYBT-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-bromo-N'-(1-cyclohex-3-enyl-oxomethyl)benzohydrazide
3-bromo-N'-(1-cyclohex-3-enylcarbonyl)benzohydrazide
3-bromo-N'-(3-cyclohexen-1-ylcarbonyl)benzohydrazide
MLS001180393
SMR000476027
AE-848/36198019

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Loa Loa (eye worm)	hypothetical protein	0.0085	0.087	0.087
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Echinococcus granulosus	asparaginyl tRNA synthetase, cytoplasmic	0.0043	0.0389	0.0389
Toxoplasma gondii	ABC1 family protein	0.0036	0.03	0.0634
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.03	0.03
Toxoplasma gondii	OB-fold nucleic acid binding domain-containing protein	0.0221	0.243	0.5132
Trichomonas vaginalis	aspartyl/lysyl-tRNA synthetase, putative	0.0043	0.0389	0.0389
Loa Loa (eye worm)	beta-lactamase	0.0036	0.03	0.03
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Giardia lamblia	Lysyl-tRNA synthetase	0.0043	0.0389	0.2839
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0402	0.0402
Giardia lamblia	Asparaginyl-tRNA synthetase	0.0043	0.0389	0.2839
Treponema pallidum	aspartyl-tRNA synthetase	0.0043	0.0389	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.03	0.03
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Plasmodium vivax	asparagine--tRNA ligase, putative	0.0043	0.0389	0.082
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Mycobacterium tuberculosis	Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase)	0.0043	0.0389	0.0398
Trypanosoma cruzi	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0422	0.4736	0.4736
Loa Loa (eye worm)	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Plasmodium falciparum	replication protein A1, large subunit	0.0422	0.4736	1
Brugia malayi	beta-lactamase family protein	0.0036	0.03	0.03
Echinococcus granulosus	replication protein A 70 kDa DNA binding	0.0881	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.03	0.03
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.03	0.03
Trypanosoma cruzi	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Echinococcus multilocularis	asparaginyl tRNA synthetase, cytoplasmic	0.0043	0.0389	0.0389
Giardia lamblia	Hypothetical protein	0.0129	0.1369	1
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.03	0.0634
Trypanosoma cruzi	replication Factor A 28 kDa subunit, putative	0.0043	0.0389	0.082
Treponema pallidum	asparaginyl-tRNA synthetase	0.0043	0.0389	0.5
Plasmodium falciparum	aspartate--tRNA ligase	0.0043	0.0389	0.082
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0402	0.0402
Brugia malayi	Aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Leishmania major	hypothetical protein, conserved	0.0036	0.03	0.0634
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0043	0.0389	1
Plasmodium vivax	lysine--tRNA ligase, putative	0.0043	0.0389	0.082
Brugia malayi	beta-lactamase family protein	0.0036	0.03	0.03
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.03	0.0634
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Brugia malayi	Asparaginyl-tRNA synthetase, cytoplasmic	0.0043	0.0389	0.0389
Trypanosoma cruzi	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Trypanosoma cruzi	Replication factor A protein 1	0.0422	0.4736	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.03	0.03
Schistosoma mansoni	hypothetical protein	0.0043	0.0389	0.0389
Leishmania major	asparaginyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Entamoeba histolytica	replication factor A, putative	0.0085	0.087	0.1251
Trichomonas vaginalis	esterase, putative	0.0036	0.03	0.03
Trypanosoma brucei	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0402	0.0402
Toxoplasma gondii	aspartate-tRNA ligase	0.0043	0.0389	0.082
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.2512	1
Plasmodium falciparum	lysine--tRNA ligase	0.0043	0.0389	0.082
Wolbachia endosymbiont of Brugia malayi	aspartyl-tRNA synthetase	0.0043	0.0389	0.5
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.0389
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0402	0.0402
Entamoeba histolytica	replication factor A protein 1, putative	0.0379	0.4237	1
Trypanosoma cruzi	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Echinococcus granulosus	asparaginyl tRNA synthetase cytoplasmic	0.0043	0.0389	0.0389
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0043	0.0389	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.03	0.03
Echinococcus multilocularis	asparaginyl tRNA synthetase, cytoplasmic	0.0043	0.0389	0.0389
Brugia malayi	BRCA2 repeat family protein	0.0178	0.1932	0.1932
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.03	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Mycobacterium leprae	PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE)	0.0043	0.0389	1
Echinococcus multilocularis	asparaginyl tRNA synthetase	0.0043	0.0389	0.0389
Loa Loa (eye worm)	replication factor A 73 kDa subunit	0.0881	1	1
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0881	1	1
Chlamydia trachomatis	lysine--tRNA ligase	0.0043	0.0389	0.5
Onchocerca volvulus	Putative replication factor A 73 kDa subunit	0.0789	0.8938	1
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Plasmodium vivax	replication protein A1, large subunit, putative	0.0422	0.4736	1
Brugia malayi	beta-lactamase	0.0036	0.03	0.03
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0043	0.0389	0.082
Plasmodium falciparum	nucleic acid binding protein, putative	0.0043	0.0389	0.082
Plasmodium vivax	aspartate--tRNA ligase, putative	0.0043	0.0389	0.082
Brugia malayi	lysyl-tRNA synthetase	0.0043	0.0389	0.0389
Echinococcus granulosus	lysyl tRNA synthetase	0.0043	0.0389	0.0389
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.03	0.03
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Trypanosoma cruzi	asparaginyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Trypanosoma brucei	asparaginyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Mycobacterium tuberculosis	Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase)	0.0043	0.0389	0.0398
Leishmania major	replication Factor A 28 kDa subunit, putative	0.0043	0.0389	0.082
Schistosoma mansoni	replication factor A 1 rfa1	0.0881	1	1
Toxoplasma gondii	hypothetical protein	0.0093	0.0952	0.201
Trypanosoma brucei	Replication factor A protein 1	0.0422	0.4736	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0402	0.0402
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0389	0.0389
Plasmodium falciparum	asparagine--tRNA ligase	0.0043	0.0389	0.082
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0402	0.0402
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0881	1	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0043	0.0389	0.0389
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Plasmodium vivax	asparagine--tRNA ligase, putative	0.0043	0.0389	0.082
Echinococcus granulosus	aspartyl tRNA synthetase cytoplasmic	0.0043	0.0389	0.0389
Schistosoma mansoni	aspartyl-tRNA synthetase	0.0043	0.0389	0.0389
Loa Loa (eye worm)	BRCA2 repeat family protein	0.0178	0.1932	0.1932
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0402	0.0402
Toxoplasma gondii	replication factor-a protein 1 (rpa1) subfamily protein	0.0422	0.4736	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.03	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Onchocerca volvulus	Putative replication factor A 73 kDa subunit	0.0085	0.087	0.0659
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0043	0.0389	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.03	0.03
Leishmania major	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.03	0.03
Leishmania major	replication factor A, 51kDa subunit, putative	0.0422	0.4736	1
Echinococcus multilocularis	aspartyl tRNA synthetase, cytoplasmic	0.0043	0.0389	0.0389
Giardia lamblia	Aspartyl-tRNA synthetase	0.0043	0.0389	0.2839
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.03	0.03
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0402	0.0402
Plasmodium falciparum	asparagine--tRNA ligase	0.0043	0.0389	0.082
Trypanosoma cruzi	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0402	0.0402
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0389	0.082
Loa Loa (eye worm)	hypothetical protein	0.0036	0.03	0.03
Toxoplasma gondii	lysine-tRNA ligase	0.0043	0.0389	0.082
Mycobacterium ulcerans	aspartyl-tRNA synthetase	0.0043	0.0389	1
Trichomonas vaginalis	replication factor A 1, rfa1, putative	0.0838	0.9501	0.9501
Loa Loa (eye worm)	63kd antigen	0.0043	0.0389	0.0389
Chlamydia trachomatis	aspartate--tRNA(Asp/Asn) ligase	0.0043	0.0389	0.5
Schistosoma mansoni	lysyl-tRNA synthetase	0.0043	0.0389	0.0389
Leishmania major	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Leishmania major	aspartyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Echinococcus multilocularis	replication protein A 70 kDa DNA binding	0.0881	1	1
Leishmania major	lysyl-tRNA synthetase, putative	0.0043	0.0389	0.082
Echinococcus multilocularis	lysyl tRNA synthetase	0.0043	0.0389	0.0389
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.03	0.03

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	89.1251 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
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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

ChEMBL: CHEMBL1894784

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1588066