TDR Targets

Basic information

Technical information

TDR Targets ID: 1228825
Name: N-(2,4-difluorophenyl)-1-[5-(6-oxo-1H-pyridaz in-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-c arboxamide
MW: 466.482 | Formula: C19H16F2N4O4S2
H donors: 2 H acceptors: 6 LogP: 2.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(nn1)c1ccc(s1)S(=O)(=O)N1CCCC1C(=O)Nc1ccc(cc1F)F
InChi: 1S/C19H16F2N4O4S2/c20-11-3-4-13(12(21)10-11)22-19(27)15-2-1-9-25(15)31(28,29)18-8-6-16(30-18)14-5-7-17(26)24-23-14/h3-8,10,15H,1-2,9H2,(H,22,27)(H,24,26)
InChiKey: SKIRRQGESVLYAD-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-(2,4-difluorophenyl)-1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]pyrrolidine-2-carboxamide
N-(2,4-difluorophenyl)-1-[[5-(6-oxo-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]-2-pyrrolidinecarboxamide
N-(2,4-difluorophenyl)-1-[[5-(6-keto-1H-pyridazin-3-yl)-2-thienyl]sulfonyl]pyrrolidine-2-carboxamide
N-(2,4-difluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-pyrrolidine-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	muscleblind-like splicing regulator 1	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
Brugia malayi	Muscleblind-like protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus granulosus	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein 1	Get druggable targets OG5_132352	All targets in OG5_132352
Echinococcus multilocularis	muscleblind protein	Get druggable targets OG5_132352	All targets in OG5_132352

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0181
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0252	0.3063	1
Entamoeba histolytica	hypothetical protein	0.0026	0.0123	0.1832
Loa Loa (eye worm)	hypothetical protein	0.006	0.0571	0.1341
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.0131
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.028	0.0625
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0412	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0181
Trypanosoma cruzi	DNA polymerase eta, putative	0.0038	0.028	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0088	0.2822
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.028	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0012	0.0436
Schistosoma mansoni	importin beta-1	0.0032	0.0201	0.0396
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.028	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0252	0.3063	1
Brugia malayi	Muscleblind-like protein	0.0318	0.3923	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0038	0.028	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0038	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0324	0.0747
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0201	0.0366
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1591	0.156
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0088	0.2822
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0252	0.3063	1
Echinococcus granulosus	dna polymerase kappa	0.0038	0.028	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0037	0.0058
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0092	0.0262
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0038	0.028	0.0586
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0201	0.5791
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0012	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1591	0.3748
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.028	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.028	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1591	0.3748
Leishmania major	GTP-binding protein, putative	0.0023	0.0092	0.0226
Onchocerca volvulus		0.0048	0.0412	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0252	0.3063	0.73
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0107	0.0309
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.028	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.1591	0.3785
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0571	0.1341
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.0131
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0412	0.0905
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3923	0.9378
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0092	0.0143
Schistosoma mansoni	hypothetical protein	0.0186	0.2208	0.5237
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0123	0.1643
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0123	0.0104
Echinococcus multilocularis	geminin	0.0186	0.2208	0.2179
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0123	0.0104
Toxoplasma gondii	cathepsin CPC1	0.0252	0.3063	1
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0123	0.1832
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	0.2822
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0038	0.028	0.0632
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0092	0.0191
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0107	0.0049
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0088	0.5
Trypanosoma brucei	unspecified product	0.0026	0.0127	0.1886
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0088	0.5
Schistosoma mansoni	hypothetical protein	0.0186	0.2208	0.5237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1591	0.3748
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0107	0.0226
Echinococcus multilocularis	snurportin 1	0.0338	0.4182	0.4161
Mycobacterium ulcerans	DNA polymerase IV	0.0038	0.028	1
Echinococcus granulosus	tumor protein p63	0.0328	0.4044	0.9666
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0088	0.2822
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	0.2822
Loa Loa (eye worm)	hypothetical protein	0.0318	0.3923	0.9378
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0088	0.2822
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0092	0.0134
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.028	1
Echinococcus granulosus	snurportin 1	0.0338	0.4182	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.1591	0.156
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0038	0.028	0.0586
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0088	0.3135
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0201	0.0452
Brugia malayi	Importin beta-1 subunit	0.0032	0.0201	0.0422
Schistosoma mansoni	DNA polymerase eta	0.0038	0.028	0.0586
Trypanosoma brucei	unspecified product	0.0038	0.028	1
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0201	0.0396
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.1591	0.3748
Echinococcus granulosus	muscleblind protein	0.0318	0.3923	0.9375
Giardia lamblia	DINP protein human, muc B family	0.0038	0.028	0.0632
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0181
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0324	0.0739
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.028	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0037	0.0058
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0107	0.0776
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0201	0.5791
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0092	0.0056
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.1591	0.3998
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0338	0.4182	1
Entamoeba histolytica	Ran family GTPase	0.0023	0.0092	0.0226
Echinococcus granulosus	dna polymerase eta	0.0038	0.028	0.0586
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0252	0.3063	1
Echinococcus multilocularis	dna polymerase eta	0.0038	0.028	0.0244
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0571	0.1376
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Echinococcus multilocularis	tumor protein p63	0.0328	0.4044	0.4022
Leishmania major	hypothetical protein, conserved	0.0024	0.0107	0.0984
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0201	0.0618
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0201	0.0165
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.1591	0.3748
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0038	0.028	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0127	0.1886
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0088	0.0131
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0092	0.0262
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0107	0.0776
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0088	0.2822
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0127	0.1886
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0252	0.3063	1
Schistosoma mansoni	ran	0.0023	0.0092	0.0134
Trypanosoma brucei	unspecified product	0.0026	0.0127	0.1886
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0038	0.028	0.0244
Brugia malayi	hypothetical protein	0.0024	0.0107	0.018
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0123	0.0104
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0252	0.3063	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0038	0.028	0.0641
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0038	0.028	0.0632
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0107	0.0776
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0038	0.028	0.0586
Trypanosoma brucei	DNA polymerase eta, putative	0.0038	0.028	1
Schistosoma mansoni	ran	0.0023	0.0092	0.0134
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0252	0.3063	1
Echinococcus multilocularis	muscleblind protein 1	0.0318	0.3923	0.3901
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0324	0.0693
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0107	0.0309
Plasmodium falciparum	importin beta, putative	0.0032	0.0201	0.0618
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0571	0.1376
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0038	0.028	1
Leishmania major	DNA polymerase eta, putative	0.0038	0.028	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0026	0.0127	0.1886
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0107	0.0309
Echinococcus multilocularis	dna polymerase kappa	0.0038	0.028	0.0244
Schistosoma mansoni	hypothetical protein	0.0338	0.4182	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0038	0.028	0.0625
Echinococcus granulosus	geminin	0.0186	0.2208	0.5237
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0088	0.3135
Echinococcus multilocularis	muscleblind protein	0.0318	0.3923	0.3901
Brugia malayi	RNA, U transporter 1	0.009	0.0959	0.2374
Loa Loa (eye worm)	hypothetical protein	0.0038	0.028	0.0641
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0088	0.2822
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0038	0.028	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0038	0.028	1
Leishmania major	DNA polymerase kappa, putative	0.0038	0.028	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.4467 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.9362 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	12.5893 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	29.081 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	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: CHEMBL1349569

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 1228825