TDR Targets

Basic information

Technical information

TDR Targets ID: 690852
Name: 2-iodo-N-[(4-oxo-3H-phthalazin-1-yl)methyl]be nzamide
MW: 405.19 | Formula: C16H12IN3O2
H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1I)NCc1nnc(c2c1cccc2)O
InChi: 1S/C16H12IN3O2/c17-13-8-4-3-7-12(13)15(21)18-9-14-10-5-1-2-6-11(10)16(22)20-19-14/h1-8H,9H2,(H,18,21)(H,20,22)
InChiKey: SSPQYEFEOSXNLU-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

2-iodo-N-[(4-keto-3H-phthalazin-1-yl)methyl]benzamide
ZINC04317474

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
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0046	0.0861	0.0884
Treponema pallidum	fructose-bisphosphate aldolase	0.0282	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0793	0.309
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0861	0.3354
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.003	0.0239	0.0931
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0046	0.0861	0.3354
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0274	0.1067
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.009	0.2567	0.1441
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0861	0.0861
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0276	0.9742	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0046	0.0861	0.0884
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0138	0.4417	0.4365
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.0861	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0861	0.3354
Brugia malayi	Cathepsin L-like precursor	0.0031	0.0274	0.1067
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.009	0.2567	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0046	0.0861	0.3354
Loa Loa (eye worm)	cysteine protease	0.0046	0.0861	0.256
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.009	0.2567	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0793	0.309
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.009	0.2567	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Giardia lamblia	Fructose-bisphosphate aldolase	0.0282	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0031	0.0274	0.1067
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0793	0.309
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0098	0.2878	0.2878
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.009	0.2567	1
Onchocerca volvulus		0.0046	0.0861	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.0861	0.3354
Loa Loa (eye worm)	fibroinase	0.0046	0.0861	0.256
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.0861	0.3354
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0059	0.1359	0.2471
Brugia malayi	cathepsin L-like precursor	0.0031	0.0274	0.1067
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Onchocerca volvulus		0.0046	0.0861	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0046	0.0861	0.256
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0098	0.2878	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.0861	0.256
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus granulosus	cathepsin l1	0.0031	0.0274	0.1067
Onchocerca volvulus	Cathepsin F homolog	0.0046	0.0861	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0793	0.309
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma cruzi	cruzipain precursor, putative	0.0046	0.0861	0.3354
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0861	0.256
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.009	0.2567	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0793	0.2264
Plasmodium vivax	vivapain-2	0.0046	0.0861	0.0884
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.0861	0.3354
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0276	0.9742	1
Onchocerca volvulus		0.0046	0.0861	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0029	0.0205	0.08
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0793	0.309
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0274	0.0274
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.0861	0.3354
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Echinococcus granulosus	cathepsin l1	0.0046	0.0861	0.3354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Plasmodium vivax	vivapain-2	0.0046	0.0861	0.0884
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0793	0.309
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0098	0.2878	0.2954
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Onchocerca volvulus	Cathepsin L homolog	0.0046	0.0861	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0276	0.9742	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0031	0.0274	0.1067
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Echinococcus multilocularis	cathepsin L cysteine protease	0.0046	0.0861	0.3354
Onchocerca volvulus		0.0046	0.0861	1
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0276	0.9742	1
Entamoeba histolytica	cysteine protease, putative	0.0046	0.0861	0.0861
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0098	0.2878	0.2878
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.009	0.2567	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0098	0.2878	0.2878
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0031	0.0274	0.1067
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.0861	0.3354
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.0861	0.0861
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0046	0.0861	0.3354
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0098	0.2878	0.2954
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Onchocerca volvulus		0.0046	0.0861	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0046	0.0861	0.0884
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Entamoeba histolytica	cysteine proteinase, putative	0.0031	0.0274	0.0274
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0138	0.4417	0.3648
Echinococcus multilocularis	cysteine protease	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0282	1	1
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0276	0.9742	1
Onchocerca volvulus		0.0046	0.0861	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Brugia malayi	glucose-6-phosphate dehydrogenase	0.009	0.2567	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0793	0.309
Onchocerca volvulus		0.0046	0.0861	1
Echinococcus multilocularis	cysteine protease	0.0046	0.0861	0.3354
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0861	0.3354
Treponema pallidum	hypothetical protein	0.0276	0.9742	0.9653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0046	0.0861	0.0861
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0793	0.309
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0282	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.009	0.2567	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0046	0.0861	0.3354
Loa Loa (eye worm)	ctsf protein	0.0046	0.0861	0.256
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0031	0.0274	0.0274
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.0861	0.0861
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.009	0.2567	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 690852