TDR Targets

Basic information

Technical information

TDR Targets ID: 867008
Name: N-(2-bromo-4-methylphenyl)-4-piperidin-1-ylsu lfonyl-1H-pyrrole-2-carboxamide
MW: 426.328 | Formula: C17H20BrN3O3S
H donors: 2 H acceptors: 3 LogP: 2.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)Br)NC(=O)c1[nH]cc(c1)S(=O)(=O)N1CCCCC1
InChi: 1S/C17H20BrN3O3S/c1-12-5-6-15(14(18)9-12)20-17(22)16-10-13(11-19-16)25(23,24)21-7-3-2-4-8-21/h5-6,9-11,19H,2-4,7-8H2,1H3,(H,20,22)
InChiKey: CEOPNPWWCRNWHS-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-bromo-4-methyl-phenyl)-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide
N-(2-bromo-4-methylphenyl)-4-(1-piperidylsulfonyl)-1H-pyrrole-2-carboxamide
N-(2-bromo-4-methyl-phenyl)-4-piperidinosulfonyl-1H-pyrrole-2-carboxamide
N-(2-bromo-4-methyl-phenyl)-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide

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
Brugia malayi	cyclin-dependent kinase 9	0.0062	0.0315	0.0315
Brugia malayi	chromobox protein homolog 3	0.0035	0.0112	0.0112
Echinococcus granulosus	beta LACTamase domain containing family member	0.003	0.0072	0.0072
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0191	0.1277	1
Trichomonas vaginalis	D-aminoacylase, putative	0.003	0.0072	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0035	0.0035
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0072	1
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0072	0.482
Mycobacterium leprae	Probable lipase LipE	0.003	0.0072	0.5
Brugia malayi	acetyltransferase, GNAT family protein	0.0137	0.0871	0.0871
Schistosoma mansoni	chromobox protein	0.0063	0.032	0.032
Trypanosoma brucei	hypothetical protein, conserved	0.003	0.0072	1
Trichomonas vaginalis	esterase, putative	0.003	0.0072	0.0072
Brugia malayi	T-complex protein 1, beta subunit	0.0021	0.0005	0.0005
Schistosoma mansoni	kinase	0.0062	0.0315	0.0315
Plasmodium falciparum	histone acetyltransferase GCN5	0.0037	0.0124	1
Onchocerca volvulus		0.003	0.0072	0.0017
Toxoplasma gondii	ABC1 family protein	0.003	0.0072	0.464
Onchocerca volvulus		0.003	0.0072	0.0017
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0158	0.0158
Mycobacterium ulcerans	hypothetical protein	0.003	0.0072	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.0315	0.0315
Trichomonas vaginalis	chaperonin, putative	0.0021	0.0005	0.0005
Leishmania major	T-complex protein 1, beta subunit, putative	0.0021	0.0005	0.0698
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0021	0.0005	0.0005
Trichomonas vaginalis	chromobox protein, putative	0.0063	0.032	0.032
Echinococcus granulosus	chromobox protein 1	0.0063	0.032	0.032
Echinococcus multilocularis	chromobox protein 1	0.0063	0.032	0.032
Echinococcus multilocularis	beta LACTamase domain containing family member	0.003	0.0072	0.0072
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0041	0.0158	0.0158
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0158	0.0158
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.003	0.0072	0.0072
Mycobacterium leprae	conserved hypothetical protein	0.003	0.0072	0.5
Trichomonas vaginalis	chromobox protein, putative	0.0038	0.0133	0.0133
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0041	0.0158	0.0158
Trichomonas vaginalis	CMGC family protein kinase	0.1359	1	1
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0021	0.0005	0.0005
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0112	0.0112
Echinococcus granulosus	histone acetyltransferase KAT2B	0.004	0.0149	0.0149
Echinococcus granulosus	cyclin dependent kinase 9	0.0071	0.0382	0.0382
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0021	0.0005	0.0159
Echinococcus granulosus	chromobox protein 1	0.0063	0.032	0.032
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0291	0.2021	0.2021
Trichomonas vaginalis	bromodomain-containing protein, putative	0.004	0.0149	0.0149
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0021	0.0005	0.0005
Brugia malayi	beta-lactamase family protein	0.003	0.0072	0.0072
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0021	0.0005	0.0005
Giardia lamblia	Histone acetyltransferase GCN5	0.0037	0.0124	0.0124
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.003	0.0072	0.0072
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.0112
Mycobacterium ulcerans	esterase/lipase LipP	0.003	0.0072	0.5
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0137	0.0871	0.0871
Brugia malayi	beta-lactamase family protein	0.003	0.0072	0.0072
Trichomonas vaginalis	CMGC family protein kinase	0.1359	1	1
Mycobacterium ulcerans	beta-lactamase	0.003	0.0072	0.5
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0021	0.0005	0.0336
Mycobacterium ulcerans	lipase LipD	0.003	0.0072	0.5
Brugia malayi	T-complex protein 1, beta subunit	0.0021	0.0005	0.0005
Trichomonas vaginalis	chromobox protein, putative	0.0038	0.0133	0.0133
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.004	0.0149	1
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0021	0.0005	0.0698
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0062	0.0315	0.0315
Brugia malayi	beta-lactamase	0.003	0.0072	0.0072
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0133	0.0078
Trichomonas vaginalis	D-aminoacylase, putative	0.003	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Trichomonas vaginalis	chromobox protein, putative	0.0063	0.032	0.032
Trichomonas vaginalis	CMGC family protein kinase	0.1359	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0133	0.0843	0.0843
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.004	0.0149	0.0149
Loa Loa (eye worm)	beta-lactamase	0.003	0.0072	0.0072
Trichomonas vaginalis	D-aminoacylase, putative	0.003	0.0072	0.0072
Trypanosoma cruzi	hypothetical protein, conserved	0.003	0.0072	1
Echinococcus multilocularis	cyclin dependent kinase 9	0.0071	0.0382	0.0382
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0021	0.0005	0.0404
Loa Loa (eye worm)	heterochromatin protein 1	0.0063	0.032	0.032
Onchocerca volvulus		0.1359	1	1
Leishmania major	hypothetical protein, conserved	0.003	0.0072	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.004	0.0149	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0158	0.0158
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.003	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Schistosoma mansoni	chromobox protein	0.0063	0.032	0.032
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0041	0.0158	0.0158
Onchocerca volvulus		0.003	0.0072	0.0017
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0021	0.0005	0.0005
Schistosoma mansoni	serine/threonine protein kinase	0.1359	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.003	0.0072	0.0072
Echinococcus multilocularis	cyclin dependent kinase 9	0.0062	0.0315	0.0315
Echinococcus multilocularis	chromobox protein 1	0.0063	0.032	0.032
Echinococcus granulosus	cyclin dependent kinase 9	0.0062	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0112	0.0112
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.003	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0041	0.0158	0.0158
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Loa Loa (eye worm)	hypothetical protein	0.003	0.0072	0.0072
Giardia lamblia	Kinase, CDC7	0.1359	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0062	0.0315	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0041	0.0158	0.0158
Trichomonas vaginalis	penicillin-binding protein, putative	0.003	0.0072	0.0072
Brugia malayi	Heterochromatin protein 1	0.0063	0.032	0.032
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0137	0.0871	0.0871
Loa Loa (eye worm)	T-complex protein 1	0.0021	0.0005	0.0005
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0021	0.0005	0.0005
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.004	0.0149	1
Trichomonas vaginalis	conserved hypothetical protein	0.0025	0.0035	0.0035
Loa Loa (eye worm)	acetyltransferase	0.0137	0.0871	0.0871
Onchocerca volvulus		0.1359	1	1
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0021	0.0005	0.0698
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0021	0.0005	0.0005
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.003	0.0072	0.5
Loa Loa (eye worm)	CDC7 protein kinase	0.1359	1	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0035	0.0112	0.0057
Echinococcus granulosus	CDC7 cell division cycle 7	0.1359	1	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0037	0.0124	0.3939
Echinococcus multilocularis	CDC7 cell division cycle 7	0.1359	1	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 867008