TDR Targets

Basic information

Technical information

TDR Targets ID: 593261
Name: N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen -2-ylsulfonylindazol-5-yl)benzamide
MW: 455.525 | Formula: C22H18FN3O3S2
H donors: 1 H acceptors: 4 LogP: 4.74 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cc(cc(c1C)c1ccc2c(c1)cnn2S(=O)(=O)c1cccs1)C(=O)NC1CC1
InChi: 1S/C22H18FN3O3S2/c1-13-18(10-15(11-19(13)23)22(27)25-17-5-6-17)14-4-7-20-16(9-14)12-24-26(20)31(28,29)21-3-2-8-30-21/h2-4,7-12,17H,5-6H2,1H3,(H,25,27)
InChiKey: HHBGBQXOXHOLKR-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-cyclopropyl-3-fluoro-4-methyl-5-[1-(2-thienylsulfonyl)indazol-5-yl]benzamide
N-cyclopropyl-3-fluoro-4-methyl-5-[1-(2-thienylsulfonyl)-5-indazolyl]benzamide

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
Trichomonas vaginalis	alpha-glucosidase, putative	0.0404	0.0189	0.0513
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0192	0.0058	0.0031
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0192	0.0058	0.0069
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0404	0.0189	0.2774
Echinococcus granulosus	neutral alpha glucosidase AB	0.0933	0.0515	0.0464
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0404	0.0189	0.0513
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.5971	0.3626	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.5971	0.3626	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0141	0.0026	0.0063
Trichomonas vaginalis	alpha-glucosidase, putative	0.0404	0.0189	0.0513
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0202	0.0064	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0185	0.0053	0.0029
Echinococcus granulosus	carbonic anhydrase	0.0192	0.0058	0.0005
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Leishmania major	glycosyl hydrolase-like protein	0.0404	0.0189	0.0484
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0933	0.0515	0.0581
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0933	0.0515	0.0618
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0202	0.0064	0.0167
Echinococcus multilocularis	carbonic anhydrase II	0.0377	0.0172	0.012
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0377	0.0172	0.0172
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.015	0.0032	0.008
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0192	0.0058	0.0031
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0185	0.0053	0.0029
Echinococcus granulosus	carbonic anhydrase	0.0192	0.0058	0.0005
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Echinococcus multilocularis	lysosomal alpha glucosidase	0.341	0.2045	0.2002
Echinococcus multilocularis	carbonic anhydrase	0.0192	0.0058	0.0005
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0185	0.0053	0.0029
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Leishmania major	alpha glucosidase II subunit, putative	0.0933	0.0515	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0377	0.0172	0.0169
Trichomonas vaginalis	alpha-glucosidase, putative	0.0933	0.0515	0.1413
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.015	0.0032	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.0141	0.0026	0.0063
Trichomonas vaginalis	alpha-glucosidase, putative	0.0933	0.0515	0.1413
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0202	0.0064	0.0038
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0377	0.0172	0.0207
Schistosoma mansoni	carbonic anhydrase-related	0.0192	0.0058	0.0034
Trichomonas vaginalis	alpha-glucosidase, putative	0.0404	0.0189	0.0513
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0064	0.0077
Echinococcus multilocularis	glycogen debranching enzyme	0.0202	0.0064	0.0011
Brugia malayi	Glycosyl hydrolases family 31 protein	0.341	0.2045	0.2422
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0203	0.0065	0.0078
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0855	0.0467	0.1281
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	1.6296	1	1
Schistosoma mansoni	carbonic anhydrase-related	0.0192	0.0058	0.0034
Loa Loa (eye worm)	carbonic anhydrase 3	0.0377	0.0172	0.0207
Trichomonas vaginalis	alpha-glucosidase, putative	0.0404	0.0189	0.0513
Trichomonas vaginalis	glucosylceramidase, putative	0.0203	0.0065	0.017
Schistosoma mansoni	hypothetical protein	0.0192	0.0058	0.0034
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0404	0.0189	0.0513
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0404	0.0189	0.0484
Schistosoma mansoni	hypothetical protein	0.0259	0.0099	0.0084
Echinococcus granulosus	carbonic anhydrase II	0.0377	0.0172	0.012
Echinococcus multilocularis	carbonic anhydrase	0.0192	0.0058	0.0005
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0404	0.0189	0.0513
Schistosoma mansoni	carbonic anhydrase	0.0192	0.0058	0.0034
Echinococcus multilocularis	carbonic anhydrase	0.0192	0.0058	0.0005
Toxoplasma gondii	hypothetical protein	0.0192	0.0058	0.0098
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0404	0.0189	0.0484
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0192	0.0058	0.0069
Loa Loa (eye worm)	hypothetical protein	0.015	0.0032	0.0038
Trypanosoma cruzi	hypothetical protein, conserved	0.0933	0.0515	1
Schistosoma mansoni	alpha-glucosidase	0.296	0.1767	0.209
Mycobacterium ulcerans	alpha-L-fucosidase	1.6296	1	0.5
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0933	0.0515	0.1413
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.015	0.0032	0.0003
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0933	0.0515	0.0464
Trichomonas vaginalis	alpha-glucosidase, putative	0.0933	0.0515	0.1413
Plasmodium falciparum	carbonic anhydrase	0.0192	0.0058	0.5
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0933	0.0515	0.1413
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0404	0.0189	0.0484
Schistosoma mansoni	alpha-l-fucosidase	1.361	0.8342	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.341	0.2045	0.2002
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0192	0.0058	0.0031
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0404	0.0189	0.0189
Onchocerca volvulus		0.247	0.1464	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0855	0.0467	0.8942
Loa Loa (eye worm)	alpha-L-fucosidase	1.361	0.8342	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0933	0.0515	1
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0377	0.0172	0.0169
Trichomonas vaginalis	alpha-glucosidase, putative	0.0933	0.0515	0.1413
Loa Loa (eye worm)	hypothetical protein	0.0192	0.0058	0.0069
Trichomonas vaginalis	alpha-glucosidase, putative	0.0404	0.0189	0.0513
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0933	0.0515	0.1413
Trypanosoma brucei	glucosidase, putative	0.0933	0.0515	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0933	0.0515	0.1413
Schistosoma mansoni	alpha glucosidase	0.0933	0.0515	0.0584
Echinococcus multilocularis	lysosomal alpha glucosidase	0.341	0.2045	0.2002
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0192	0.0058	0.0031
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0202	0.0064	0.0228
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0192	0.0058	0.0069
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0404	0.0189	0.116
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.341	0.2045	0.2451
Trichomonas vaginalis	glucosylceramidase, putative	0.0133	0.0022	0.0051
Echinococcus granulosus	glycogen debranching enzyme	0.0202	0.0064	0.0011
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0203	0.0065	0.0039
Brugia malayi	Alpha-L-fucosidase family protein	1.361	0.8342	1
Schistosoma mansoni	alpha-glucosidase	0.296	0.1767	0.209
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0933	0.0515	1
Schistosoma mansoni	carbonic anhydrase-related	0.0192	0.0058	0.0034
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0377	0.0172	0.0172
Echinococcus granulosus	carbonic anhydrase	0.0192	0.0058	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0404	0.0189	0.0227
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0185	0.0053	0.0029
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0933	0.0515	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0192	0.0058	0.0031
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0202	0.0064	0.0167

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0.02 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.62 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 5.11 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 32 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 68 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 92 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 0	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 32 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 68 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 92 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.06	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.86186 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL587313
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 593261