TDR Targets

Basic information

Technical information

TDR Targets ID: 1456512
Name: N'-(2-methyl-6-phenylpyrimidin-4-yl)benzohydr azide
MW: 304.346 | Formula: C18H16N4O
H donors: 2 H acceptors: 3 LogP: 3.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(NNC(=O)c2ccccc2)cc(n1)c1ccccc1
InChi: 1S/C18H16N4O/c1-13-19-16(14-8-4-2-5-9-14)12-17(20-13)21-22-18(23)15-10-6-3-7-11-15/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChiKey: SPFCJWLLEKIQOM-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

N'-(2-methyl-6-phenyl-pyrimidin-4-yl)benzohydrazide
N'-(2-methyl-6-phenyl-4-pyrimidinyl)benzohydrazide
SMR000140635
MLS000533197
ZINC00432707

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768

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
Brugia malayi	hypothetical protein	0.0064	0.0548	0.0548
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0049	0.0372	0.0317
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0057	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0161	0.1697	0.165
Echinococcus multilocularis	GPCR, family 2	0.0161	0.1697	0.165
Brugia malayi	Calcitonin receptor-like protein seb-1	0.051	0.5822	0.5822
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0161	0.1697	0.165
Plasmodium falciparum	ataxin-2 like protein, putative	0.0099	0.0965	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0372	0.3471
Loa Loa (eye worm)	hypothetical protein	0.051	0.5822	0.5822
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0049	0.0372	0.3471
Echinococcus multilocularis	Smad4	0.0032	0.0171	0.0115
Brugia malayi	hypothetical protein	0.0099	0.0965	0.0965
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0372	0.0317
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0057	0.5
Brugia malayi	Smad1	0.0032	0.0171	0.0171
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0049	0.0372	0.3471
Brugia malayi	MH1 domain containing protein	0.0032	0.0171	0.0171
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0049	0.0372	0.0317
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0057	0.0057
Schistosoma mansoni	tar DNA-binding protein	0.0863	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0049	0.0372	0.3471
Loa Loa (eye worm)	RNA binding protein	0.0863	1	1
Brugia malayi	N-terminal motif family protein	0.0353	0.3964	0.3964
Brugia malayi	MH2 domain containing protein	0.0032	0.0171	0.0171
Loa Loa (eye worm)	Smad1	0.0032	0.0171	0.0171
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0161	0.1697	0.1697
Schistosoma mansoni	Smad4	0.0032	0.0171	0.0115
Echinococcus multilocularis	isocitrate dehydrogenase	0.0049	0.0372	0.0317
Brugia malayi	Isocitrate dehydrogenase	0.0049	0.0372	0.0372
Schistosoma mansoni	smad1 5 8 and	0.0032	0.0171	0.0115
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0372	0.3471
Brugia malayi	hypothetical protein	0.0152	0.1584	0.1584
Schistosoma mansoni	tar DNA-binding protein	0.0863	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.051	0.5822	0.5822
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0372	0.0317
Loa Loa (eye worm)	MH2 domain-containing protein	0.0032	0.0171	0.0171
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0353	0.3964	1
Brugia malayi	MH1 domain containing protein	0.0032	0.0171	0.0171
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0372	0.0317
Schistosoma mansoni	smad1 5 8 and	0.0032	0.0171	0.0115
Schistosoma mansoni	hypothetical protein	0.0348	0.3913	0.3878
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0161	0.1697	0.165
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0057	0.5
Echinococcus multilocularis	smad	0.0032	0.0171	0.0115
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0045	0.0316	0.026
Loa Loa (eye worm)	hypothetical protein	0.0353	0.3964	0.3964
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0057	0.5
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1584	0.1584
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0032	0.0171	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0863	1	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0965	0.0965
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.051	0.5822	0.5822
Trypanosoma cruzi	PAB1-binding protein , putative	0.0099	0.0965	1
Leishmania major	hypothetical protein, conserved	0.0099	0.0965	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0316	0.026
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0057	0.0057
Loa Loa (eye worm)	transcription factor SMAD2	0.0475	0.5407	0.5407
Echinococcus multilocularis	tar DNA binding protein	0.0863	1	1
Loa Loa (eye worm)	hypothetical protein	0.0348	0.3913	0.3913
Brugia malayi	latrophilin 2 splice variant baaae	0.0348	0.3913	0.3913
Brugia malayi	RNA recognition motif domain containing protein	0.0863	1	1
Brugia malayi	isocitrate dehydrogenase	0.0049	0.0372	0.0372
Plasmodium vivax	ataxin-2 like protein, putative	0.0099	0.0965	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0049	0.0372	0.3471
Loa Loa (eye worm)	MH1 domain-containing protein	0.0032	0.0171	0.0171
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0372	0.3471
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0372	0.3471
Trypanosoma brucei	PAB1-binding protein , putative	0.0099	0.0965	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0032	0.0171	0.0115
Schistosoma mansoni	tar DNA-binding protein	0.0863	1	1
Schistosoma mansoni	smad	0.0032	0.0171	0.0115
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0161	0.1697	0.1697
Brugia malayi	MH2 domain containing protein	0.0475	0.5407	0.5407
Brugia malayi	MH2 domain containing protein	0.0032	0.0171	0.0171
Brugia malayi	TAR-binding protein	0.0863	1	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0057	0.5
Schistosoma mansoni	hypothetical protein	0.0161	0.1697	0.165
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0049	0.0372	0.0317
Echinococcus granulosus	Smad4	0.0032	0.0171	0.0115
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0057	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0032	0.0171	0.0115
Echinococcus granulosus	GPCR family 2	0.0161	0.1697	0.165
Schistosoma mansoni	hypothetical protein	0.0161	0.1697	0.165
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0049	0.0372	1
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1697	0.1697
Echinococcus granulosus	tar DNA binding protein	0.0863	1	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0099	0.0965	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0475	0.5407	0.5407
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0057	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0099	0.0965	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0049	0.0372	0.0372
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0032	0.0171	0.0115
Echinococcus granulosus	mothers against decapentaplegic 5	0.0032	0.0171	0.0115
Schistosoma mansoni	hypothetical protein	0.0161	0.1697	0.165
Plasmodium falciparum	ataxin-2 like protein, putative	0.0099	0.0965	1
Echinococcus granulosus	smad	0.0032	0.0171	0.0115
Schistosoma mansoni	smad1 5 8 and	0.0032	0.0171	0.0115
Loa Loa (eye worm)	TAR-binding protein	0.0863	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0863	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0161	0.1697	0.165
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0045	0.0316	0.026
Schistosoma mansoni	hypothetical protein	0.0161	0.1697	0.165
Brugia malayi	Latrophilin receptor protein 2	0.0161	0.1697	0.1697
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0372	0.3471
Schistosoma mansoni	tar DNA-binding protein	0.0863	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0447 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	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
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	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: CHEMBL1608519

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1456512