TDR Targets

Basic information

Technical information

TDR Targets ID: 886934
Name: N-(4-butyl-2-methylphenyl)-4-(furan-2-carbony l)piperazine-1-carboxamide
MW: 369.457 | Formula: C21H27N3O3
H donors: 1 H acceptors: 2 LogP: 3.68 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1ccc(c(c1)C)NC(=O)N1CCN(CC1)C(=O)c1ccco1
InChi: 1S/C21H27N3O3/c1-3-4-6-17-8-9-18(16(2)15-17)22-21(26)24-12-10-23(11-13-24)20(25)19-7-5-14-27-19/h5,7-9,14-15H,3-4,6,10-13H2,1-2H3,(H,22,26)
InChiKey: KYTVUSHODTWKEM-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-(4-butyl-2-methyl-phenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
N-(4-butyl-2-methylphenyl)-4-(2-furyl-oxomethyl)-1-piperazinecarboxamide
N-(4-butyl-2-methyl-phenyl)-4-furan-2-ylcarbonyl-piperazine-1-carboxamide
Oprea1_526786

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	0.0034	0.0105	0.0171
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0135	0.022
Loa Loa (eye worm)	CYP4Cod1	0.0042	0.0195	0.0319
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0791	0.129
Brugia malayi	jmjC domain containing protein	0.0035	0.0118	0.0193
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0235	0.0383
Brugia malayi	Bromodomain containing protein	0.0029	0.005	0.0081
Loa Loa (eye worm)	dihydrofolate reductase	0.0566	0.613	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0042	0.0195	0.0319
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0263	0.2698	0.2698
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0235	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0135	0.022
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0135	0.022
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0135	0.022
Echinococcus granulosus	peregrin	0.0029	0.005	0.0081
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0135	0.022
Trypanosoma cruzi	cytochrome P450, putative	0.0042	0.0195	0.0195
Leishmania major	cytochrome p450-like protein	0.0042	0.0195	0.0195
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0093	0.0779	0.1271
Echinococcus granulosus	dihydrofolate reductase	0.0566	0.613	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0908	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0235	0.0383
Mycobacterium tuberculosis	Hypothetical protein	0.0263	0.2698	0.4402
Onchocerca volvulus		0.0036	0.0135	0.0144
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.022
Brugia malayi	serine/threonine-protein kinase plk-2	0.0093	0.0779	0.1271
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0135	0.0086
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0135	0.0135
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0135	0.022
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0402	0.0656
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0235	0.0383
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0281	0.0458
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0566	0.613	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0235	0.0383
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0402	0.0656
Loa Loa (eye worm)	cytochrome P450 family protein	0.0042	0.0195	0.0319
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0135	0.022
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0235	0.0383
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0135	0.022
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0402	0.0656
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0135	0.022
Loa Loa (eye worm)	hypothetical protein	0.0029	0.005	0.0081
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0135	0.022
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Schistosoma mansoni	kinase	0.0047	0.026	0.0425
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.2349	0.3832
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.005	0.0081
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0135	0.022
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0093	0.0779	0.1231
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0246	0.0435
Echinococcus multilocularis	peregrin	0.0029	0.005	0.0081
Schistosoma mansoni	hypothetical protein	0.0029	0.005	0.0081
Brugia malayi	Dihydrofolate reductase	0.0566	0.613	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0135	0.022
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0402	0.0656
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0177	0.0289
Trypanosoma cruzi	cytochrome P450, putative	0.0042	0.0195	0.0195
Trypanosoma brucei	polo-like protein kinase	0.0093	0.0779	0.0779
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Schistosoma mansoni	hypothetical protein	0.0034	0.0105	0.0171
Leishmania major	hypothetical protein, conserved	0.0036	0.0135	0.0135
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0135	0.022
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0118	0.0193
Echinococcus multilocularis	thymidylate synthase	0.0552	0.5976	0.975
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0118	0.0193
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0402	0.0656
Chlamydia trachomatis	dihydrofolate reductase	0.0566	0.613	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0402	0.0656
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0135	0.022
Loa Loa (eye worm)	thymidylate synthase	0.0552	0.5976	0.975
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0135	0.022
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0791	0.129
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.005	0.0081
Brugia malayi	beta-lactamase	0.0036	0.0135	0.022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0235	0.0383
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0396	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0282	0.0461
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0135	0.022
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0118	0.0193
Giardia lamblia	Kinase, PLK	0.0093	0.0779	1
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0402	0.0402
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0093	0.0779	0.0779
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0135	0.022
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0135	0.022
Brugia malayi	Cytochrome P450 family protein	0.0042	0.0195	0.0319
Brugia malayi	jmjC domain containing protein	0.0094	0.0791	0.129
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0908	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0402	0.0402
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.005	0.0081
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.005	0.0081
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0908	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0281	0.0458
Trichomonas vaginalis	conserved hypothetical protein	0.0263	0.2698	1
Onchocerca volvulus		0.0036	0.0135	0.0144
Brugia malayi	Cytochrome P450 family protein	0.0081	0.0638	0.1041
Onchocerca volvulus		0.0552	0.5976	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0093	0.0779	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0281	0.0458
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0235	0.0383
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.005	0.005
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0779	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0118	0.0193
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0552	0.5976	0.975
Brugia malayi	PHD-finger family protein	0.0029	0.005	0.0081
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Schistosoma mansoni	dihydrofolate reductase	0.0566	0.613	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0135	0.022
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0571	0.0932
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0105	0.0171
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0135	0.022
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0908	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0093	0.0779	0.1271
Loa Loa (eye worm)	cytochrome P450 family protein	0.0081	0.0638	0.1041
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Onchocerca volvulus		0.0036	0.0135	0.0144
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0402	0.0656
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.022
Echinococcus multilocularis	dihydrofolate reductase	0.0566	0.613	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0135	0.0135
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0135	0.0135
Mycobacterium ulcerans	lipase LipD	0.0036	0.0135	0.022
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0093	0.0779	0.1271
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0042	0.0195	0.0319
Trichomonas vaginalis	CAMK family protein kinase	0.0093	0.0779	0.2514
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.0779	0.0779
Brugia malayi	thymidylate synthase	0.0552	0.5976	0.975
Toxoplasma gondii	ABC1 family protein	0.0036	0.0135	0.0135
Trypanosoma cruzi	polo-like protein kinase, putative	0.0093	0.0779	0.0779
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0135	0.022
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0402	0.0656
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0552	0.5976	0.975
Brugia malayi	dihydrofolate reductase family protein	0.0566	0.613	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0135	0.022
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0552	0.5976	0.975
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0908	1	1
Brugia malayi	hypothetical protein	0.0263	0.2698	0.4402
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0566	0.613	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0281	0.0458
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.005	0.005
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0566	0.613	1
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0246	0.0435
Trypanosoma brucei	cytochrome P450, putative	0.0042	0.0195	0.0195
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0135	0.022
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0235	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.022
Echinococcus granulosus	thymidylate synthase	0.0552	0.5976	0.975
Brugia malayi	Cytochrome P450 family protein	0.0042	0.0195	0.0319
Mycobacterium ulcerans	thymidylate synthase	0.0552	0.5976	0.975
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0177	0.0289
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0118	0.0193

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 886934