TDR Targets

Basic information

Technical information

TDR Targets ID: 1458971
Name: 5-[4-[(2,5-dimethylphenyl)amino]phthalazin-1- yl]-N,2-dimethylbenzenesulfonamide
MW: 432.538 | Formula: C24H24N4O2S
H donors: 2 H acceptors: 4 LogP: 4.69 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1cc(C)ccc1C
InChi: 1S/C24H24N4O2S/c1-15-9-10-16(2)21(13-15)26-24-20-8-6-5-7-19(20)23(27-28-24)18-12-11-17(3)22(14-18)31(29,30)25-4/h5-14,25H,1-4H3,(H,26,28)
InChiKey: VJNMIIKHSLDNNN-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

5-[4-[(2,5-dimethylphenyl)amino]phthalazin-1-yl]-N,2-dimethyl-benzenesulfonamide
5-[4-[(2,5-dimethylphenyl)amino]-1-phthalazinyl]-N,2-dimethylbenzenesulfonamide
EU-0008937
ZINC01299611
NCGC00099050-01
STK001949
ZINC01299612

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	guanosine monophosphate reductase	0.0077	0.4364	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.2166	0.2092
Plasmodium vivax	cell division cycle protein 48 homologue, putative	0.0026	0.1056	0.2598
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0404	0.0729
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0026	0.1056	0.0973
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0139	0.0047
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0041	0.1982	0.0954
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0139	0.0109
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0139	0.0047
Schistosoma mansoni	hypothetical protein	0.0019	0.0583	0.0495
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0077	0.4364	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.2166	1
Echinococcus granulosus	GPCR family 2	0.0019	0.0583	0.0489
Trypanosoma cruzi	GMP reductase	0.0077	0.4364	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0139	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0139	0.0047
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0073	0.4066	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0139	0.0109
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.2017	0.4505
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0032	0.1432	0.3137
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0077	0.4364	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0139	0.0047
Onchocerca volvulus	Transitional endoplasmic reticulum ATPase homolog	0.0028	0.1149	0.7808
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0139	0.0109
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0077	0.4364	1
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0077	0.4364	0.4658
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.3252	0.7398
Schistosoma mansoni	thyroid hormone receptor	0.0164	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0077	0.4364	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0139	0.0047
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0139	0.0047
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0139	0.0047
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0139	0.0047
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0583	0.1149
Schistosoma mansoni	hypothetical protein	0.0152	0.9208	0.9201
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0077	0.4364	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0583	0.0489
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0583	0.0495
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0077	0.4364	1
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0041	0.1982	0.395
Brugia malayi	valosin containing protein	0.0016	0.0404	0.0729
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0077	0.4364	0.4311
Trypanosoma cruzi	GMP reductase	0.0077	0.4364	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0139	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0583	0.1149
Schistosoma mansoni	hypothetical protein	0.0041	0.2017	0.1942
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0139	0.0109
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0583	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Toxoplasma gondii	IMP dehydrogenas	0.0077	0.4364	1
Schistosoma mansoni	cell division control protein 48 aaa family protein	0.0028	0.1149	0.1066
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0139	0.0109
Toxoplasma gondii	cell division protein CDC48CY	0.0028	0.1149	0.1836
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0139	0.0109
Echinococcus multilocularis	transitional endoplasmic reticulum atpase	0.0028	0.1149	0.1066
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0139	0.0109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0139	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.9208	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0139	0.0109
Schistosoma mansoni	hypothetical protein	0.0019	0.0583	0.0495
Schistosoma mansoni	coup transcription factor	0.0012	0.0139	0.0047
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0139	0.0047
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0139	0.0047
Loa Loa (eye worm)	vesicle-fusing ATPase	0.0016	0.0404	0.0729
Brugia malayi	GMP reductase	0.0032	0.1432	0.3137
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0139	0.0047
Schistosoma mansoni	hypothetical protein	0.0019	0.0583	0.0495
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0139	0.0109
Loa Loa (eye worm)	hypothetical protein	0.006	0.3252	0.7398
Schistosoma mansoni	hypothetical protein	0.0043	0.2166	0.2092
Brugia malayi	ecdysteroid receptor	0.0012	0.0139	0.0109
Schistosoma mansoni	hypothetical protein	0.0019	0.0583	0.0495
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0139	0.0109
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.9208	0.9201
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.2166	0.2092
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0077	0.4364	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0139	0.0047
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0139	0.0047
Entamoeba histolytica	hypothetical protein	0.0043	0.2166	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Trichomonas vaginalis	spermatogenesis associated factor, putative	0.0028	0.1149	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0139	0.0109
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0139	0.0047
Onchocerca volvulus	Putative GMP reductase	0.0032	0.1432	1
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0073	0.4066	1
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0139	0.0047
Brugia malayi	hypothetical protein	0.0043	0.2166	0.4853
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0583	0.0489
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0139	0.0109
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0139	0.0047
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0139	0.0109
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0139	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0139	0.0109
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0583	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0041	0.2017	0.4505
Loa Loa (eye worm)	GMP reductase	0.0032	0.1432	0.3137
Entamoeba histolytica	hypothetical protein	0.0043	0.2166	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0139	0.0109
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0139	0.0109
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0032	0.1432	0.3137
Brugia malayi	vesicle-fusing ATPase	0.0016	0.0404	0.0729
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.3252	0.7398
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0077	0.4364	1
Entamoeba histolytica	hypothetical protein	0.0043	0.2166	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0139	0.0109
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.2166	0.2234
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0073	0.4066	0.9244
Schistosoma mansoni	thyroid hormone receptor	0.0164	1	1
Toxoplasma gondii	cell division protein CDC48AP	0.0017	0.0426	0.000001799
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0583	0.1149
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0077	0.4364	0.4311
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0139	0.0109
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0139	0.0047
Brugia malayi	nuclear hormone receptor	0.0012	0.0139	0.0109
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0077	0.4364	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0583	0.0495
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.3252	0.7398
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0139	0.0047
Trypanosoma brucei	GMP reductase	0.0077	0.4364	1
Echinococcus granulosus	transitional endoplasmic reticulum atpase	0.0028	0.1149	0.1113
Giardia lamblia	AAA family ATPase	0.0017	0.0426	0.5
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0037	0.173	0.3312
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0077	0.4364	1
Brugia malayi	steroid hormone receptor	0.0012	0.0139	0.0109
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0077	0.4364	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0562 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	16.3601 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 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

Species name	Source	Reference	Is orphan
Homo sapiens	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

ChEMBL: CHEMBL1611318

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1458971