TDR Targets

Basic information

Technical information

TDR Targets ID: 697648
Name: N-[4-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazi n-6-yl)phenyl]methanesulfonamide
MW: 303.34 | Formula: C13H13N5O2S
H donors: 1 H acceptors: 5 LogP: 0.77 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nnc2n1nc(cc2)c1ccc(cc1)NS(=O)(=O)C
InChi: 1S/C13H13N5O2S/c1-9-14-15-13-8-7-12(16-18(9)13)10-3-5-11(6-4-10)17-21(2,19)20/h3-8,17H,1-2H3
InChiKey: MWRKFQDGJLSXTP-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

MLS000684990
SMR000324948
ZINC05150885

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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 granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.2055	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.4585	0.5058
Schistosoma mansoni	hypothetical protein	0.0175	0.7155	0.7893
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.3405	0.3756
Brugia malayi	RNA recognition motif domain containing protein	0.0125	0.4585	0.5058
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.005	0.0055
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.2055	1
Schistosoma mansoni	ap endonuclease	0.0037	0.0101	0.0112
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.359	0.3558
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0565	0.0789
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.4192	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.1683	0.1812
Brugia malayi	Ets-domain containing protein	0.007	0.1781	0.1965
Brugia malayi	Heterochromatin protein 1	0.0068	0.1683	0.1856
Brugia malayi	glutathione reductase	0.0046	0.0565	0.0623
Brugia malayi	Thioredoxin reductase	0.0046	0.0565	0.0623
Toxoplasma gondii	exonuclease III APE	0.0037	0.0101	0.0258
Schistosoma mansoni	gabp alpha	0.007	0.1781	0.1965
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.359	0.3558
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.0055
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.4192	0.4163
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0565	0.0571
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.005	0.0069
Plasmodium vivax	ataxin-2 like protein, putative	0.0075	0.2055	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0101	0.0258
Echinococcus multilocularis	tar DNA binding protein	0.0125	0.4585	0.6408
Brugia malayi	TAR-binding protein	0.0125	0.4585	0.5058
Brugia malayi	hypothetical protein	0.0075	0.2055	0.2267
Schistosoma mansoni	chromobox protein	0.0068	0.1683	0.1856
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0154	0.0116
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.0101	1
Echinococcus granulosus	chromobox protein 1	0.0068	0.1683	0.2352
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.1437
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1134
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1028	0.1085
Brugia malayi	Fli-1 protein	0.0212	0.9066	1
Brugia malayi	RNA binding protein	0.0125	0.4585	0.5058
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.4192	0.4163
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1683	1
Mycobacterium tuberculosis	Probable reductase	0.0105	0.359	0.3558
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0101	0.0052
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.4192	0.4163
Brugia malayi	hypothetical protein	0.0049	0.069	0.0761
Echinococcus granulosus	geminin	0.0175	0.7155	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.359	0.3558
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.4585	0.5058
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.4585	0.5058
Echinococcus granulosus	chromobox protein 1	0.0068	0.1683	0.2352
Schistosoma mansoni	ets-related	0.0212	0.9066	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.1437
Trypanosoma brucei	trypanothione reductase	0.0046	0.0565	0.2569
Schistosoma mansoni	hypothetical protein	0.007	0.1759	0.1941
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0565	0.0518
Schistosoma mansoni	hypothetical protein	0.0175	0.7155	0.7893
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.007	0.1781	0.192
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.1759	0.1941
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0154	0.0638
Echinococcus granulosus	GA binding protein alpha chain	0.007	0.1781	0.2489
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0101	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1028	0.1437
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0302	0.1545
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0101	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	0.4585	0.5031
Echinococcus granulosus	tar DNA binding protein	0.0125	0.4585	0.6408
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0302	0.1545
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0565	0.2569
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.3405	0.3722
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0055
Brugia malayi	beta-lactamase family protein	0.0036	0.005	0.0055
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0101	0.0142
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.359	0.3558
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2055	0.2224
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0101	0.5
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0565	0.2569
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0101	0.0258
Loa Loa (eye worm)	TAR-binding protein	0.0125	0.4585	0.5031
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0101	0.0317
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1683	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0565	0.0789
Trypanosoma brucei	PAB1-binding protein , putative	0.0075	0.2055	1
Brugia malayi	beta-lactamase	0.0036	0.005	0.0055
Schistosoma mansoni	ap endonuclease	0.0037	0.0101	0.0112
Echinococcus multilocularis	GA binding protein alpha chain	0.007	0.1781	0.2489
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0101	0.0258
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0565	0.2569
Brugia malayi	chromobox protein homolog 3	0.0038	0.0154	0.017
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0101	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0102	0.3405	0.3722
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.005	0.0069
Loa Loa (eye worm)	fli-1 protein	0.0212	0.9066	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0101	0.0112
Leishmania major	trypanothione reductase	0.0046	0.0565	0.2569
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0101	0.0142
Brugia malayi	Ets-domain containing protein	0.007	0.1781	0.1965
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.4585	0.5058
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1683	0.2352
Toxoplasma gondii	LsmAD domain-containing protein	0.0075	0.2055	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0154	0.4129
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0565	0.0571
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0565	0.2372
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1028	0.1134
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.2055	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1028	0.1437
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0565	0.2569
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0101	0.0258
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0154	0.0638
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.2055	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1262	0.1345
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.359	0.3558
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0101	0.0317
Loa Loa (eye worm)	RNA binding protein	0.0125	0.4585	0.5031
Leishmania major	hypothetical protein, conserved	0.0075	0.2055	1
Echinococcus multilocularis	geminin	0.0175	0.7155	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.3405	0.3756
Plasmodium falciparum	glutathione reductase	0.0046	0.0565	0.2372
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0302	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	0.4585	0.5058
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0101	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.005	0.0055
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.359	0.8549
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0101	0.0057
Loa Loa (eye worm)	hypothetical protein	0.007	0.1759	0.1896
Schistosoma mansoni	chromobox protein	0.0068	0.1683	0.1856
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1683	0.2352
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1028	0.1134

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.5849 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)	10.4179 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)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	100 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

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

ChEMBL: CHEMBL1456441
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 697648