TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 459.509 | Formula: C23H23F2N3O3S
H donors: 1 H acceptors: 3 LogP: 4.75 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(c2ccc(cc2)NS(=O)(=O)C(C)C)n(c2c1ccc(c2)OC(F)F)CC1CC1
InChi: 1S/C23H23F2N3O3S/c1-14(2)32(29,30)27-17-7-5-16(6-8-17)22-20(12-26)19-10-9-18(31-23(24)25)11-21(19)28(22)13-15-3-4-15/h5-11,14-15,23,27H,3-4,13H2,1-2H3
InChiKey: OCCOWFYJAAMNOG-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

No synonyms found for this compound

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
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Brugia malayi	Trypsin family protein	0.009	0.183	0.183
Echinococcus granulosus	neural cadherin	0.0051	0.0184	0.0339
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0004	0.0004
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0184	0.0184
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	Notch2	0.0051	0.0184	0.0184
Plasmodium falciparum	proteasome subunit beta type-5	0.0143	0.4068	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0777	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Brugia malayi	Animal haem peroxidase family protein	0.0108	0.2576	0.2576
Onchocerca volvulus	Neurogenic locus notch homolog	0.0051	0.0184	0.0715
Echinococcus granulosus	proteasome prosome macropain	0.0143	0.4068	0.7483
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0143	0.4068	1
Brugia malayi	Cadherin domain containing protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	notch protein	0.0051	0.0184	0.0184
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0072	0.0176
Schistosoma mansoni	hypothetical protein	0.0175	0.5437	0.5437
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0124	0.326	0.7978
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0184	0.0184
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0004	0.0007
Echinococcus granulosus	Mastin	0.0049	0.0077	0.0141
Echinococcus multilocularis	geminin	0.0175	0.5437	1
Echinococcus granulosus	peroxidasin	0.0108	0.2576	0.4739
Echinococcus granulosus	neurogenic locus notch protein	0.0051	0.0184	0.0339
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Onchocerca volvulus		0.0051	0.0184	0.0715
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0072	0.0072
Onchocerca volvulus	Peroxidasin homolog	0.0108	0.2576	1
Echinococcus multilocularis	peroxidasin	0.0108	0.2576	0.4739
Loa Loa (eye worm)	glutaminase	0.0282	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.183	0.183
Echinococcus granulosus	protein jagged 2	0.0051	0.0184	0.0339
Echinococcus multilocularis	neurogenic locus notch protein	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Loa Loa (eye worm)	animal heme peroxidase	0.0108	0.2576	0.2576
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0051	0.0184	0.0184
Leishmania major	trypanothione reductase	0.0049	0.0072	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Echinococcus granulosus	protein jagged 2	0.0051	0.0184	0.0339
Mycobacterium tuberculosis	Probable dehydrogenase	0.0111	0.2732	0.6656
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0124	0.326	0.3955
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus granulosus	slit 2 protein	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.009	0.183	0.183
Brugia malayi	MH2 domain containing protein	0.0123	0.3238	0.3238
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0777	0.1429
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0051	0.0184	0.0184
Brugia malayi	Calcium binding EGF domain containing protein	0.0051	0.0184	0.0184
Echinococcus granulosus	protein jagged 1	0.0051	0.0184	0.0339
Onchocerca volvulus	Putative cubilin	0.0051	0.0184	0.0715
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0777	0.0777
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0777	0.0777
Onchocerca volvulus	Peroxidasin homolog	0.0108	0.2576	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0004	0.0004
Mycobacterium ulcerans	glutaminase	0.0282	1	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0111	0.2732	0.6656
Echinococcus multilocularis	notch	0.0051	0.0184	0.0339
Onchocerca volvulus	Chorion peroxidase homolog	0.0108	0.2576	1
Echinococcus granulosus	fibropellin Ia	0.0051	0.0184	0.0339
Onchocerca volvulus	Dual oxidase homolog	0.0108	0.2576	1
Loa Loa (eye worm)	glutaminase 2	0.0282	1	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0108	0.2576	0.2576
Schistosoma mansoni	hypothetical protein	0.0175	0.5437	0.5437
Onchocerca volvulus		0.0051	0.0184	0.0715
Toxoplasma gondii	EGF family domain-containing protein	0.0051	0.0184	0.0453
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0184	0.0184
Trichomonas vaginalis	glutaminase, putative	0.0282	1	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0143	0.4068	0.4068
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0777	0.0777
Brugia malayi	Peroxidasin	0.0108	0.2576	0.2576
Brugia malayi	Delta serrate ligand family protein	0.0051	0.0184	0.0184
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0004	0.0007
Brugia malayi	notch-like transmembrane receptor	0.0051	0.0184	0.0184
Echinococcus multilocularis	neurogenic locus protein delta	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	peroxidasin	0.0108	0.2576	0.2576
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0111	0.2732	0.6656
Loa Loa (eye worm)	animal heme peroxidase	0.0108	0.2576	0.2576
Brugia malayi	Cadherin domain containing protein	0.0051	0.0184	0.0184
Onchocerca volvulus		0.0073	0.108	0.4191
Echinococcus multilocularis	glycoprotein Antigen 5	0.0049	0.0077	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0143	0.4068	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0123	0.3238	0.3238
Brugia malayi	Animal haem peroxidase family protein	0.0108	0.2576	0.2576
Brugia malayi	Proteasome A-type and B-type family protein	0.0143	0.4068	0.4068
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Echinococcus granulosus	enteropeptidase	0.0049	0.0077	0.0141
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0072	0.0132
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Echinococcus multilocularis	Mastin	0.0049	0.0077	0.0141
Loa Loa (eye worm)	transcription factor SMAD2	0.0123	0.3238	0.3238
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Schistosoma mansoni	glutaminase	0.0282	1	1
Brugia malayi	Muscle positioning protein 4	0.0051	0.0184	0.0184
Onchocerca volvulus		0.0051	0.0184	0.0715
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Onchocerca volvulus	Slit protein homolog	0.0051	0.0184	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0777	0.0777
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0143	0.4068	0.5
Onchocerca volvulus		0.0051	0.0184	0.0715
Brugia malayi	TAR-binding protein	0.0065	0.0777	0.0777
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0072	0.0132
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0072	0.0176
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Schistosoma mansoni	notch	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus multilocularis	neurogenic locus protein delta	0.0051	0.0184	0.0339
Schistosoma mansoni	slit	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.009	0.183	0.183
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0111	0.2732	0.6656
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0777	0.0777
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0049	0.0077	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus granulosus	notch	0.0051	0.0184	0.0339
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0051	0.0184	0.0715
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0004	0.0004
Schistosoma mansoni	peroxidasin	0.0108	0.2576	0.2576
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0072	0.0176
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0004	0.0007
Brugia malayi	Animal haem peroxidase family protein	0.0108	0.2576	0.2576
Mycobacterium tuberculosis	Probable reductase	0.0111	0.2732	0.6656
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0143	0.4068	1
Echinococcus multilocularis	enteropeptidase	0.0049	0.0077	0.0141
Echinococcus multilocularis	neurogenic locus notch protein	0.0051	0.0184	0.0339
Echinococcus multilocularis	protein jagged 2	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Echinococcus multilocularis	protein jagged 1	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0143	0.4068	0.4068
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0777	0.0777
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0124	0.326	0.7978
Brugia malayi	RNA binding protein	0.0065	0.0777	0.0777
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	animal heme peroxidase	0.0108	0.2576	0.2576
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0777	0.0777
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0777	0.1429
Leishmania major	proteasome beta 5 subunit, putative	0.0143	0.4068	1
Onchocerca volvulus		0.009	0.183	0.7104
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0051	0.0184	0.0339
Brugia malayi	Thioredoxin reductase	0.0049	0.0072	0.0072
Toxoplasma gondii	proteasome subunit beta type, putative	0.0143	0.4068	1
Plasmodium falciparum	glutathione reductase	0.0049	0.0072	0.0176
Echinococcus granulosus	glycoprotein Antigen 5	0.0049	0.0077	0.0141
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Echinococcus granulosus	neurogenic locus protein delta	0.0051	0.0184	0.0339
Echinococcus granulosus	protein jagged 1	0.0051	0.0184	0.0339
Onchocerca volvulus		0.0108	0.2576	1
Brugia malayi	GCC2 and GCC3 family protein	0.0051	0.0184	0.0184
Mycobacterium tuberculosis	Probable oxidoreductase	0.0124	0.326	0.7978
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Brugia malayi	hypothetical protein	0.0108	0.2576	0.2576
Echinococcus multilocularis	protein jagged 1	0.0051	0.0184	0.0339
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0143	0.4068	0.7483
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0111	0.2732	0.6656
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus granulosus	neurogenic locus notch protein	0.0051	0.0184	0.0339
Brugia malayi	Animal haem peroxidase family protein	0.0108	0.2576	0.2576
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0004	0.0007
Onchocerca volvulus		0.0051	0.0184	0.0715
Onchocerca volvulus	Peroxidase homolog	0.0108	0.2576	1
Brugia malayi	Blistered cuticle protein 3	0.0108	0.2576	0.2576
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0004	0.0004
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0184	0.0184
Schistosoma mansoni	cell polarity protein	0.0051	0.0184	0.0184
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0072	0.0176
Plasmodium falciparum	thioredoxin reductase	0.0049	0.0072	0.0176
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.009	0.183	0.183
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0143	0.4068	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0184	0.0184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Brugia malayi	EGF-like domain containing protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus multilocularis	fibropellin Ia	0.0051	0.0184	0.0339
Echinococcus granulosus	neurogenic locus notch protein 4	0.0051	0.0184	0.0339
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0051	0.0184	0.0339
Schistosoma mansoni	laminin gamma-3 chain	0.0051	0.0184	0.0184
Echinococcus multilocularis	slit 2 protein	0.0051	0.0184	0.0339
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0143	0.4068	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	animal heme peroxidase	0.0108	0.2576	0.2576
Echinococcus granulosus	delta-like protein 1	0.0051	0.0184	0.0339
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Onchocerca volvulus	Peroxidase homolog	0.0108	0.2576	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.2576	0.2576
Onchocerca volvulus		0.0108	0.2576	1
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0777	0.0777
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0072	0.0072
Onchocerca volvulus		0.0108	0.2576	1
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0143	0.4068	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0184	0.0184
Echinococcus multilocularis	neural cadherin	0.0051	0.0184	0.0339
Brugia malayi	glutathione reductase	0.0049	0.0072	0.0072
Echinococcus granulosus	geminin	0.0175	0.5437	1
Schistosoma mansoni	septate junction protein	0.0051	0.0184	0.0184
Brugia malayi	Animal haem peroxidase family protein	0.0108	0.2576	0.2576
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0143	0.4068	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 22 uM	Cytotoxicity against human HuH7 cells after 2 days by MTS assay	ChEMBL.	23683596

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: CHEMBL2398019

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 1764569