TDR Targets

Basic information

Technical information

TDR Targets ID: 506313
Name: 5-bromo-3-(propylsulfamoyl)-1H-indole-2-carbo xamide
MW: 360.227 | Formula: C12H14BrN3O3S
H donors: 3 H acceptors: 3 LogP: 1.81 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCNS(=O)(=O)c1c([nH]c2c1cc(Br)cc2)C(=O)N
InChi: 1S/C12H14BrN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17)
InChiKey: TYWVHGZFRKBXHQ-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
Schistosoma mansoni	potassium channel beta	0.0047	0.254	0.2624
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0161	0.9679	1
Echinococcus multilocularis	aldehyde reductase	0.0115	0.6768	0.6768
Entamoeba histolytica	aldose reductase, putative	0.0161	0.9679	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0331	0.0331
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0331	0.0331
Plasmodium vivax	aldehyde reductase, putative	0.0047	0.254	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Loa Loa (eye worm)	oxidoreductase	0.0161	0.9679	0.9679
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0161	0.9679	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0331	0.0331
Brugia malayi	nuclear hormone receptor	0.0011	0.0331	0.0331
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0331	0.0331
Giardia lamblia	Aldose reductase	0.0161	0.9679	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0331	0.0331
Plasmodium falciparum	aldo-keto reductase, putative	0.0047	0.254	0.5
Echinococcus granulosus	aldo keto reductase	0.0161	0.9679	0.9679
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0331	0.0331
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0331	0.0342
Echinococcus multilocularis	aldo keto reductase	0.0161	0.9679	0.9679
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0331	0.0342
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0331	0.0331
Onchocerca volvulus		0.0161	0.9679	1
Brugia malayi	NADH-dependent xylose reductase	0.0047	0.254	0.254
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0331	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0331	0.0331
Giardia lamblia	Aldose reductase	0.0161	0.9679	0.5
Trichomonas vaginalis	aldo/keto reductase, putative	0.0161	0.9679	1
Loa Loa (eye worm)	hypothetical protein	0.0166	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0331	0.0331
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0331	0.0331
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0047	0.254	0.254
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0331	0.0331
Trypanosoma cruzi	aldo/keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0331	0.0331
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0161	0.9679	1
Trypanosoma cruzi	aldo-keto reductase	0.0161	0.9679	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0331	0.0342
Echinococcus multilocularis	aldo keto reductase	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0331	0.0331
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0331	0.0331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2805	0.2898
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.2805	0.2805
Plasmodium falciparum	aldehyde reductase, putative	0.0047	0.254	0.5
Entamoeba histolytica	aldose reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0331	0.0331
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0331	0.0331
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus multilocularis	muscleblind protein	0.0166	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0331	0.0331
Entamoeba histolytica	aldose reductase, putative	0.0161	0.9679	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0331	0.0331
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0047	0.254	0.5
Echinococcus granulosus	aldo keto reductase	0.0161	0.9679	0.9679
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0331	0.0331
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0331	0.0342
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0331	0.0331
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0161	0.9679	0.9679
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0331	0.0331
Mycobacterium ulcerans	oxidoreductase	0.0161	0.9679	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0161	0.9679	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0161	0.9679	0.9679
Brugia malayi	steroid hormone receptor	0.0011	0.0331	0.0331
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0331	0.0331
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Schistosoma mansoni	pol-related	0.0161	0.9679	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0331	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0331	0.0331
Leishmania major	prostaglandin f synthase, putative	0.0161	0.9679	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0331	0.0331
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0331	0.0331
Echinococcus granulosus	muscleblind protein	0.0166	1	1
Onchocerca volvulus		0.0047	0.254	0.2363
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.2805	0.2805
Loa Loa (eye worm)	oxidoreductase	0.0161	0.9679	0.9679
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.2805	0.2805
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.2805	0.2805
Trypanosoma brucei	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	hypothetical protein	0.0161	0.9679	0.9679
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Onchocerca volvulus		0.0161	0.9679	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0161	0.9679	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Loa Loa (eye worm)	hypothetical protein	0.0166	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.0115	0.6768	0.5922
Onchocerca volvulus		0.0161	0.9679	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2805	0.2898
Trichomonas vaginalis	aldo/keto reductase, putative	0.0161	0.9679	1
Schistosoma mansoni	coup transcription factor	0.0011	0.0331	0.0342
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0331	0.0342
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0331	0.0331
Echinococcus granulosus	aldo keto reductase	0.0161	0.9679	0.9679
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0331	0.0342
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0331	0.0342
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0331	0.0331
Toxoplasma gondii	aldose reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0047	0.254	0.254
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0331	0.0331
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0331	0.0331
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0047	0.254	0.254
Echinococcus multilocularis	aldo keto reductase	0.0161	0.9679	0.9679
Trypanosoma brucei	prostaglandin f synthase	0.0161	0.9679	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0331	0.0331
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.2805	0.2898
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Brugia malayi	ecdysteroid receptor	0.0011	0.0331	0.0331
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0331	0.0331
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Schistosoma mansoni	aldo-keto reductase	0.0161	0.9679	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Loa Loa (eye worm)	oxidoreductase	0.0161	0.9679	0.9679
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0331	0.0331
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0331	0.0331
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0161	0.9679	0.9679
Echinococcus granulosus	voltage gated potassium channel subunit	0.0047	0.254	0.254
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0161	0.9679	1
Onchocerca volvulus		0.0161	0.9679	1
Echinococcus granulosus	aldehyde reductase	0.0115	0.6768	0.6768
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0331	0.0331
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0331	0.0331
Echinococcus multilocularis	muscleblind protein 1	0.0166	1	1
Loa Loa (eye worm)	oxidoreductase	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.2805	0.2805
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0331	0.0342
Onchocerca volvulus		0.0161	0.9679	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0331	0.0342
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0331	0.0342
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.2805	0.2805
Leishmania major	aldo-keto reductase-like protein	0.0161	0.9679	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0331	0.0331
Trichomonas vaginalis	aldo/keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0331	0.0331
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0331	0.0331
Mycobacterium tuberculosis	Probable oxidoreductase	0.0161	0.9679	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0331	0.0342
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0161	0.9679	0.9679
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0331	0.0331
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0331	0.0331
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0161	0.9679	0.9679
Onchocerca volvulus		0.0161	0.9679	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0331	0.0331
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0047	0.254	0.254
Schistosoma mansoni	aldo-keto reductase	0.0161	0.9679	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0161	0.9679	1
Echinococcus multilocularis	aldo keto reductase	0.0161	0.9679	0.9679
Loa Loa (eye worm)	oxidoreductase	0.0161	0.9679	0.9679
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0161	0.9679	0.9679

Activities

Activity type	Activity value	Assay description	Source	Reference
CIC95 (functional)	= 160 nM	Antiviral activity against HIV 3B in MT4 cells assessed as inhibition of replication after 3 days in presence of 10% fetal bovine serum	ChEMBL.	18083561
IC50 (binding)	= 19 nM	Inhibition of HIV NL43 recombinant reverse transcriptase by scintillation proximity assay	ChEMBL.	18083561

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: CHEMBL254259
PubChem: 15604702

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 506313