TDR Targets

Basic information

Technical information

TDR Targets ID: 215714
Name: 1-(3-acetylphenyl)-3-[2-[2-[4-[(4-fluoropheny l)methyl]piperidin-1-yl]ethyl]phenyl]urea
MW: 473.582 | Formula: C29H32FN3O2
H donors: 2 H acceptors: 2 LogP: 5.27 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccccc1CCN1CCC(CC1)Cc1ccc(cc1)F)Nc1cccc(c1)C(=O)C
InChi: 1S/C29H32FN3O2/c1-21(34)25-6-4-7-27(20-25)31-29(35)32-28-8-3-2-5-24(28)15-18-33-16-13-23(14-17-33)19-22-9-11-26(30)12-10-22/h2-12,20,23H,13-19H2,1H3,(H2,31,32,35)
InChiKey: DBMSRNNCDIZQIM-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

1-(3-acetylphenyl)-3-[2-[2-[4-[(4-fluorophenyl)methyl]-1-piperidyl]ethyl]phenyl]urea
1-(3-acetylphenyl)-3-[2-[2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethyl]phenyl]urea
1-(3-ethanoylphenyl)-3-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]phenyl]urea
1-(3-acetylphenyl)-3-[2-[2-[4-(4-fluorobenzyl)piperidino]ethyl]phenyl]urea
3-(3-acetylphenyl)-1-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]phenyl]urea
3-(3-acetylphenyl)-1-[2-[2-[4-[(4-fluorophenyl)methyl]-1-piperidyl]ethyl]phenyl]urea
3-(3-acetylphenyl)-1-[2-[2-[4-[(4-fluorophenyl)methyl]-1-piperidinyl]ethyl]phenyl]urea
3-(3-acetylphenyl)-1-[2-[2-[4-(4-fluorobenzyl)-1-piperidyl]ethyl]phenyl]urea
3-(3-ethanoylphenyl)-1-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]phenyl]urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	chemokine (C-C motif) receptor 3	Starlite/ChEMBL	References

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	phenylalanyl-tRNA synthetase mitochondrial	0.0209	0.1668	0.6006
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.0866	0.3856
Mycobacterium ulcerans	lipase LipD	0.0035	0.0113	0.0022
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0866	0.3612
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0113	0.0123
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0113	0.0022
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0033	0.0089	0.016
Schistosoma mansoni	hypothetical protein	0.0333	0.2777	1
Schistosoma mansoni	bromodomain containing protein	0.007	0.042	0.1509
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0113	0.0123
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0866	0.3612
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0113	0.0022
Echinococcus multilocularis	histone acetyltransferase MYST2	0.006	0.0331	0.0448
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0274	0.2244	0.8081
Echinococcus multilocularis	neuropeptide s receptor	0.0511	0.4366	0.6249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Schistosoma mansoni	DNA polymerase eta	0.0076	0.0478	0.1719
Echinococcus granulosus	geminin	0.0333	0.2777	0.6344
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0089	0.0211
Loa Loa (eye worm)	glutaminase	0.0231	0.1865	0.831
Brugia malayi	hypothetical protein	0.0076	0.0478	0.1978
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0274	0.2244	1
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0274	0.2244	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0091	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0089	0.0395
Trypanosoma cruzi	DNA polymerase eta, putative	0.0053	0.0276	0.0858
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0113	0.0102
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0113	0.0022
Brugia malayi	phosphofructokinase	0.0119	0.0866	0.3739
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.0866	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0266	0.1185
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0113	0.0022
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0113	0.0022
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0078	0.0492	0.1088
Schistosoma mansoni	hypothetical protein	0.007	0.0427	0.1536
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0078	0.0492	0.1772
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.0842	0.3752
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	0.1815
Schistosoma mansoni	hypothetical protein	0.0333	0.2777	1
Leishmania major	DNA polymerase eta, putative	0.0053	0.0276	0.0858
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0053	0.0276	0.0877
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0113	0.0022
Echinococcus multilocularis	dna polymerase eta	0.0076	0.0478	0.0659
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0033	0.0091	0.0021
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0052	0.0266	0.0958
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0113	0.0123
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0113	0.0404
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0078	0.0492	0.2044
Brugia malayi	beta-lactamase family protein	0.0035	0.0113	0.0319
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0113	0.05
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0274	0.2244	1
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1141	1	1
Loa Loa (eye worm)	phosphofructokinase	0.0119	0.0866	0.3856
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0217	0.0964
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0078	0.0492	0.2193
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0113	0.0404
Trypanosoma brucei	DNA polymerase eta, putative	0.0076	0.0478	0.2129
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0209	0.1668	0.7331
Leishmania major	DNA polymerase eta, putative	0.0076	0.0478	0.1797
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0803	0.6975	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0089	0.0319
Echinococcus multilocularis	6 phosphofructokinase	0.0119	0.0866	0.1217
Echinococcus granulosus	neuropeptide receptor A26	0.0511	0.4366	1
Loa Loa (eye worm)	MBCTL1	0.006	0.0331	0.1474
Schistosoma mansoni	myelin transcription factor 1 myt1	0.006	0.0331	0.1191
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0113	0.0319
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0019	0.0068
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.0427	0.1746
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0089	0.0395
Leishmania major	ATP-dependent phosphofructokinase	0.0119	0.0866	0.3598
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0052	0.0266	0.0355
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0266	0.0958
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Echinococcus granulosus	polycomb protein SCMH1	0.0052	0.0266	0.0569
Loa Loa (eye worm)	hypothetical protein	0.006	0.0331	0.1474
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.0384	0.0525
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0866	0.3612
Brugia malayi	Bromodomain containing protein	0.0042	0.0174	0.0597
Schistosoma mansoni	hypothetical protein	0.0033	0.0089	0.0319
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.0866	0.3856
Echinococcus multilocularis	polycomb protein SCMH1	0.0052	0.0266	0.0355
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0033	0.0089	0.016
Schistosoma mansoni	hypothetical protein	0.0033	0.0089	0.0319
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0052	0.0266	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.006	0.0331	0.1311
Schistosoma mansoni	hypothetical protein	0.0076	0.0478	0.172
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0119	0.0866	0.0782
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0274	0.2244	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0103	0.0718	0.3199
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0078	0.0492	0.1772
Brugia malayi	ImpB/MucB/SamB family protein	0.0033	0.0091	0.022
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0119	0.0866	0.3612
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0209	0.1668	0.7384
Brugia malayi	beta-lactamase family protein	0.0035	0.0113	0.0319
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	0.1815
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0274	0.2244	0.3198
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0274	0.2244	1
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0209	0.1668	0.3793
Loa Loa (eye worm)	hypothetical protein	0.007	0.0427	0.1901
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0274	0.2244	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0198	0.088
Echinococcus multilocularis	dna polymerase kappa	0.0033	0.0091	0.0103
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0103	0.0718	0.3069
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0163	0.126	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.011	0.0782	0.2816
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, beta chain PheT	0.0036	0.0123	0.0032
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0113	0.0123
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1141	1	1
Trypanosoma brucei	unspecified product	0.0033	0.0091	0.0405
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.021	0.1676	0.2382
Schistosoma mansoni	sex comb on midleg homolog	0.0052	0.0266	0.0958
Brugia malayi	Bromodomain containing protein	0.0082	0.0535	0.2235
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0091	0.0405
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0274	0.2244	1
Schistosoma mansoni	glutaminase	0.0231	0.1865	0.6715
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0078	0.0492	0.068
Echinococcus granulosus	SAM and MBT domain containing protein	0.0052	0.0266	0.0569
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0033	0.0091	0.0403
Echinococcus granulosus	dna polymerase eta	0.0076	0.0478	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Giardia lamblia	DINP protein human, muc B family	0.0033	0.0091	0.0021
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0209	0.1668	0.237
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0493	0.2193
Onchocerca volvulus		0.0052	0.0266	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Brugia malayi	mbt repeat family protein	0.0052	0.0266	0.1017
Echinococcus multilocularis	GPCR, family 2	0.0033	0.0089	0.01
Loa Loa (eye worm)	hypothetical protein	0.0274	0.2244	1
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0274	0.2244	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0113	0.0123
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0033	0.0091	0.0325
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0866	0.3612
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.0866	0.3612
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0718	0.3199
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0078	0.0492	0.1772
Brugia malayi	beta-lactamase	0.0035	0.0113	0.0319
Trichomonas vaginalis	glutaminase, putative	0.0231	0.1865	0.8242
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0033	0.0091	0.0165
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0113	0.0503
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0113	0.0215
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0113	0.0134
Trypanosoma brucei	DNA polymerase IV, putative	0.0033	0.0091	0.0405
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1141	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.0866	0.3858
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.0036	0.0123	0.0037
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0274	0.2244	1
Echinococcus multilocularis	geminin	0.0333	0.2777	0.3964
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0478	0.1055
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0113	0.0123
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0146	0.1107	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0478	0.2127
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0113	0.0022
Toxoplasma gondii	ABC1 family protein	0.0035	0.0113	0.0123
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.006	0.0331	0.0448
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0151	0.0189
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0209	0.1668	0.7433
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0113	0.05
Brugia malayi	ImpB/MucB/SamB family protein	0.0076	0.0478	0.1977
Brugia malayi	MH2 domain containing protein	0.0117	0.0842	0.3632
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	0.1815
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0113	0.0123
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0113	0.0022
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0119	0.0866	0.6564
Loa Loa (eye worm)	glutaminase 2	0.0231	0.1865	0.831
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0113	0.0102
Echinococcus granulosus	neuropeptide s receptor	0.0511	0.4366	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.0384	0.084
Brugia malayi	mbt repeat family protein	0.0052	0.0266	0.1017
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0274	0.2244	0.5118
Leishmania major	hypothetical protein, conserved	0.0035	0.0113	0.0102
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.011	0.0782	0.3225
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit beta	0.0036	0.0123	0.0032
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0478	0.172
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0113	0.05
Mycobacterium ulcerans	glutaminase	0.0231	0.1865	0.179
Trypanosoma brucei	DNA polymerase kappa, putative	0.0033	0.0091	0.0405
Brugia malayi	6-phosphofructokinase	0.0119	0.0866	0.3739
Echinococcus granulosus	dna polymerase kappa	0.0033	0.0091	0.0165
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0033	0.0089	0.01
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0078	0.0492	0.068
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0866	0.3612
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0113	0.0022
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0033	0.0089	0.01
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.0866	0.3116
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0209	0.1668	0.7331
Loa Loa (eye worm)	mbt repeat family protein	0.0052	0.0266	0.1185
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0033	0.0091	0.0325
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0274	0.2244	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0033	0.0091	0.0021
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0089	0.0211
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.0842	0.3752
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0478	0.0659
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0274	0.2244	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0119	0.0866	0.0782
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0113	0.0022
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.011	0.0782	0.3225
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.0866	0.3598
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0033	0.0091	0.0103
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.181	0.1735
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.021	0.1676	0.3812
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0103	0.0718	0.3069
Brugia malayi	glutaminase DH11.1	0.0231	0.1865	0.8277
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.011	0.0782	0.3225
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0078	0.0492	0.1088
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.006	0.0331	0.0718
Entamoeba histolytica	hypothetical protein	0.0076	0.0478	0.1815
Trypanosoma cruzi	DNA polymerase eta, putative	0.0076	0.0478	0.1797
Echinococcus granulosus	6 phosphofructokinase	0.0119	0.0866	0.1947
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0113	0.0022
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0151	0.0303
Schistosoma mansoni	hypothetical protein	0.0322	0.2678	0.9645
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0209	0.1668	0.7331
Schistosoma mansoni	hypothetical protein	0.0033	0.0089	0.0319
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0113	0.0022
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0113	0.0022
Trichomonas vaginalis	DNA polymerase eta, putative	0.0033	0.0091	0.0021
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.0866	0.3612
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0113	0.0022
Brugia malayi	6-phosphofructokinase	0.0119	0.0866	0.3739
Echinococcus multilocularis	neuropeptide receptor A26	0.0511	0.4366	0.6249
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0175	0.0777
Echinococcus granulosus	histone acetyltransferase MYST2	0.006	0.0331	0.0718
Echinococcus granulosus	GPCR family 2	0.0033	0.0089	0.016

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 71 nM	The compound was evaluated for its eotaxin-induced chemotaxis	ChEMBL.	12166951
IC50 (binding)	= 0.0026 uM	Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells	ChEMBL.	12166951
IC50 (binding)	= 0.0026 uM	Inhibitory activity against recombinant human Chemokine receptor type 3 (CCR3) expressed in chinese hamster ovary cells	ChEMBL.	12166951

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: CHEMBL339110
PubChem: 10457573

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 215714