TDR Targets

Basic information

Technical information

TDR Targets ID: 1453445
Name: N-[3-(2-ethylpiperidin-1-yl)propyl]-5-[(2-met hoxyphenyl)sulfonylmethyl]furan-2-carboxamide
MW: 448.576 | Formula: C23H32N2O5S
H donors: 1 H acceptors: 3 LogP: 3.54 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCC1CCCCN1CCCNC(=O)c1ccc(o1)CS(=O)(=O)c1ccccc1OC
InChi: 1S/C23H32N2O5S/c1-3-18-9-6-7-15-25(18)16-8-14-24-23(26)21-13-12-19(30-21)17-31(27,28)22-11-5-4-10-20(22)29-2/h4-5,10-13,18H,3,6-9,14-17H2,1-2H3,(H,24,26)
InChiKey: KOEADTLCSBQEAB-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-[3-(2-ethyl-1-piperidyl)propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
N-[3-(2-ethyl-1-piperidinyl)propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]-2-furancarboxamide
N-[3-(2-ethyl-1-piperidyl)propyl]-5-[(2-methoxyphenyl)sulfonylmethyl]-2-furamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

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
Toxoplasma gondii	isocitrate dehydrogenase	0.0053	0.016	0.4572
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0023	0.0646
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.014	0.0277
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0053	0.016	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0067	0.0067
Echinococcus granulosus	smad	0.0034	0.0055	0.0112
Entamoeba histolytica	hypothetical protein	0.004	0.0089	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0108	0.0214
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0055	0.0112
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0295	0.1508	0.3076
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0055	0.0112
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0475	0.2506	0.4959
Entamoeba histolytica	hypothetical protein	0.004	0.0089	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0032	0.0044	0.0001
Echinococcus granulosus	tar DNA binding protein	0.0475	0.2506	0.5113
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0295	0.1508	0.1508
Schistosoma mansoni	hypothetical protein	0.0638	0.3412	0.6963
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0032	0.0044	0.1268
Entamoeba histolytica	hypothetical protein	0.004	0.0089	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.005	0.0142	0.0282
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Echinococcus granulosus	Smad4	0.0034	0.0055	0.0112
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0055	0.0055
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0108	0.022
Loa Loa (eye worm)	MH2 domain-containing protein	0.0498	0.2634	0.5212
Brugia malayi	DKFZp564C0469 protein	0.0032	0.0044	0.0088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0422	0.0861
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0422	0.0422
Echinococcus multilocularis	jumonji domain containing protein	0.0033	0.0052	0.0052
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.016	1
Echinococcus multilocularis	geminin	0.0906	0.49	0.49
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0032	0.0044	0.0000024608
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0023	0.0646
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0087	0.035	0.0714
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0055	0.0109
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0108	0.6218
Schistosoma mansoni	hypothetical protein	0.0295	0.1508	0.3076
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0055	0.0112
Loa Loa (eye worm)	TAR-binding protein	0.0475	0.2506	0.4959
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0059	0.0121
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0067	0.0136
Brugia malayi	Smad1	0.0034	0.0055	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0067	0.0132
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.016	0.016
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0053	0.016	0.0326
Loa Loa (eye worm)	hypothetical protein	0.009	0.0368	0.0728
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Brugia malayi	Pre-SET motif family protein	0.0036	0.0067	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0933	0.5053	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0035	0.0059	0.1677
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Brugia malayi	hypothetical protein	0.004	0.0089	0.0176
Onchocerca volvulus		0.0036	0.0067	0.0458
Brugia malayi	jmjC domain containing protein	0.0029	0.0028	0.0056
Schistosoma mansoni	topbp1	0.0032	0.0044	0.0091
Leishmania major	DNA polymerase eta, putative	0.0049	0.014	0.8549
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0032	0.0044	0.0088
Echinococcus multilocularis	replication factor c subunit 1	0.0032	0.0044	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0475	0.2506	0.5113
Echinococcus granulosus	geminin	0.0906	0.49	1
Loa Loa (eye worm)	hypothetical protein	0.0295	0.1508	0.2983
Schistosoma mansoni	Smad4	0.0034	0.0055	0.0112
Onchocerca volvulus		0.0286	0.1456	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Entamoeba histolytica	hypothetical protein	0.004	0.0089	1
Brugia malayi	MH2 domain containing protein	0.0498	0.2634	0.5212
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0295	0.1508	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0057	0.0183	0.0183
Echinococcus granulosus	peptidase Clp S14 family	0.0057	0.0183	0.0374
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.035	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0057	0.0183	0.4744
Schistosoma mansoni	eyes absent homolog	0.009	0.0368	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0108	0.2083
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Leishmania major	hypothetical protein, conserved	0.0043	0.0108	0.6218
Echinococcus granulosus	GPCR family 2	0.0295	0.1508	0.3076
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0023	0.0646
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Schistosoma mansoni	DNA polymerase eta	0.0049	0.014	0.0286
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0067	0.0067
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0108	0.0451
Toxoplasma gondii	ABC1 family protein	0.0043	0.0108	0.3087
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0055	0.0112
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0108	0.0451
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0108	0.022
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.003	0.0033	0.0942
Onchocerca volvulus		0.0043	0.0108	0.0742
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.035	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0087	0.035	1
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0032	0.0044	0.1585
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0032	0.0044	0.0091
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0053	0.016	0.0399
Echinococcus multilocularis	Smad4	0.0034	0.0055	0.0055
Echinococcus multilocularis	tar DNA binding protein	0.0475	0.2506	0.2506
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0053	0.016	0.0317
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0055	0.0055
Toxoplasma gondii	ATPase, AAA family protein	0.0032	0.0044	0.1268
Onchocerca volvulus		0.0043	0.0108	0.0742
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0295	0.1508	0.1508
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.0059	0.2626
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0108	0.0451
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0108	0.0451
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.014	0.8549
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.0422	0.0835
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0032	0.0044	0.036
Brugia malayi	MH2 domain containing protein	0.0034	0.0055	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0049	0.014	0.0277
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0029	0.0028	0.0057
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0108	0.6218
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.003	0.0033	0.0942
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0108	0.2083
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0023	0.0045
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0933	0.5053	1
Echinococcus granulosus	jumonji domain containing protein	0.0033	0.0052	0.0107
Trichomonas vaginalis	esterase, putative	0.0043	0.0108	0.0451
Brugia malayi	Latrophilin receptor protein 2	0.0295	0.1508	0.2983
Loa Loa (eye worm)	jmjC domain-containing protein	0.0029	0.0028	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Brugia malayi	RNA recognition motif domain containing protein	0.0475	0.2506	0.4959
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0089	0.0181
Schistosoma mansoni	hypothetical protein	0.0295	0.1508	0.3076
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0108	0.0214
Echinococcus multilocularis	GPCR, family 2	0.0295	0.1508	0.1508
Brugia malayi	MH2 domain containing protein	0.0034	0.0055	0.0109
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0108	0.2083
Treponema pallidum	DNA ligase (lig)	0.0032	0.0044	0.036
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.014	0.8549
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0055	0.0109
Schistosoma mansoni	tar DNA-binding protein	0.0475	0.2506	0.5113
Plasmodium vivax	replication factor C subunit 1, putative	0.0032	0.0044	0.1268
Plasmodium falciparum	replication factor C subunit 1, putative	0.0032	0.0044	0.1268
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0055	0.0112
Toxoplasma gondii	hypothetical protein	0.003	0.0033	0.0942
Brugia malayi	Pax transcription activation domain interacting protein	0.0032	0.0044	0.0088
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0108	0.2368
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0422	0.0861
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0108	0.3087
Loa Loa (eye worm)	hypothetical protein	0.0087	0.035	0.0692
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0108	0.2368
Schistosoma mansoni	tar DNA-binding protein	0.0475	0.2506	0.5113
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0053	0.016	0.4572
Brugia malayi	MH1 domain containing protein	0.0034	0.0055	0.0109
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0067	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0044	0.1585
Brugia malayi	RNA binding protein	0.0475	0.2506	0.4959
Brugia malayi	hypothetical protein	0.0032	0.0044	0.0088
Schistosoma mansoni	jumonji domain containing protein	0.0063	0.0214	0.0437
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.016	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0422	0.0422
Schistosoma mansoni	tar DNA-binding protein	0.0475	0.2506	0.5113
Schistosoma mansoni	hypothetical protein	0.0906	0.49	1
Brugia malayi	hypothetical protein	0.0032	0.0044	0.0088
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0933	0.5053	1
Loa Loa (eye worm)	hypothetical protein	0.009	0.0368	0.0728
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0032	0.0044	0.0000024608
Plasmodium vivax	SET domain protein, putative	0.0036	0.0067	0.1907
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0422	0.0861
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0053	0.016	0.4572
Onchocerca volvulus		0.0032	0.0044	0.0305
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0108	0.022
Echinococcus granulosus	dna polymerase eta	0.0049	0.014	0.0286
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0029	0.0028	0.0057
Brugia malayi	TAR-binding protein	0.0475	0.2506	0.4959
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0108	0.2083
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0057	0.0183	0.0578
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0089	0.0089
Loa Loa (eye worm)	transcription factor SMAD2	0.0498	0.2634	0.5212
Schistosoma mansoni	smad	0.0034	0.0055	0.0112
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0108	0.0108
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0087	0.035	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.0032	0.0044	0.0000024608
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0295	0.1508	0.2983
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Brugia malayi	Probable ClpP-like protease	0.0087	0.035	0.0692
Brugia malayi	latrophilin 2 splice variant baaae	0.0638	0.3412	0.6752
Echinococcus multilocularis	smad	0.0034	0.0055	0.0055
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0067	0.0136
Schistosoma mansoni	tar DNA-binding protein	0.0475	0.2506	0.5113
Loa Loa (eye worm)	RNA binding protein	0.0475	0.2506	0.4959
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0089	0.0181
Echinococcus granulosus	replication factor c subunit 1	0.0032	0.0044	0.0091
Echinococcus granulosus	nibrin	0.0032	0.0044	0.0091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0422	0.0861
Trypanosoma cruzi	hypothetical protein, conserved	0.0032	0.0044	0.1585
Trypanosoma cruzi	FHA domain containing protein, putative	0.0032	0.0044	0.1585
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0108	0.0451
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1263	0.25
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0108	0.0214
Schistosoma mansoni	hypothetical protein	0.004	0.0089	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0095	0.0189
Schistosoma mansoni	hypothetical protein	0.0295	0.1508	0.3076
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0053	0.016	0.0326
Schistosoma mansoni	hypothetical protein	0.0906	0.49	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0422	0.0861
Echinococcus multilocularis	nibrin	0.0032	0.0044	0.0044
Brugia malayi	MH1 domain containing protein	0.0034	0.0055	0.0109
Brugia malayi	beta-lactamase family protein	0.0043	0.0108	0.0214
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0055	0.0112
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0087	0.035	0.035
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.141	1
Giardia lamblia	Replication factor C, subunit 1	0.0032	0.0044	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0053	0.016	0.4572
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0079	0.0304	0.062
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0057	0.0183	0.0578
Schistosoma mansoni	topbp1	0.0032	0.0044	0.0091
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1456	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0087	0.035	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0053	0.016	0.016
Echinococcus multilocularis	lysine specific demethylase 5A	0.0029	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Brugia malayi	Isocitrate dehydrogenase	0.0053	0.016	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0638	0.3412	0.6752
Brugia malayi	topoisomerase	0.0032	0.0044	0.0088
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0933	0.5053	1
Brugia malayi	Pre-SET motif family protein	0.0251	0.1263	0.25
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0079	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0108	0.0214
Schistosoma mansoni	hypothetical protein	0.0295	0.1508	0.3076
Echinococcus granulosus	lysine specific demethylase 5A	0.0029	0.0028	0.0057
Brugia malayi	beta-lactamase	0.0043	0.0108	0.0214
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0295	0.1508	0.3076
Schistosoma mansoni	DNA ligase IV	0.0032	0.0044	0.0091
Echinococcus multilocularis	isocitrate dehydrogenase	0.0053	0.016	0.016
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.016	0.016
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0053	0.016	1
Onchocerca volvulus		0.0043	0.0108	0.0742
Brugia malayi	hypothetical protein	0.009	0.0368	0.0728
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0067	0.0136
Loa Loa (eye worm)	Smad1	0.0034	0.0055	0.0109
Brugia malayi	hypothetical protein	0.0028	0.0023	0.0045
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.0422	0.0835
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0032	0.0044	0.1585
Brugia malayi	isocitrate dehydrogenase	0.0053	0.016	0.0317
Mycobacterium ulcerans	lipase LipD	0.0043	0.0108	0.2083
Leishmania major	DNA polymerase eta, putative	0.0035	0.0059	0.2626
Brugia malayi	jmjC domain containing protein	0.0079	0.0304	0.0602
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0044	0.0088
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0053	0.016	0.016
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0108	0.6218
Brugia malayi	beta-lactamase family protein	0.0043	0.0108	0.0214
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0023	0.0646
Echinococcus multilocularis	dna polymerase eta	0.0049	0.014	0.014
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0067	0.1907
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0053	0.016	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0067	0.0136
Schistosoma mansoni	peptidase Clp (S14 family)	0.0087	0.035	0.0714

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.4467 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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: CHEMBL1584265

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1453445