TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 558.385 | Formula: C27H22Cl2FN3O5
H donors: 3 H acceptors: 4 LogP: 5.13 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)[C@@H](NC(=O)C1(C)ON=C(C1)c1ccccc1F)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl
InChi: 1S/C27H22Cl2FN3O5/c1-27(14-22(33-38-27)17-5-2-3-8-20(17)30)26(37)32-21(25(35)36)13-15-9-11-16(12-10-15)31-24(34)23-18(28)6-4-7-19(23)29/h2-12,21H,13-14H2,1H3,(H,31,34)(H,32,37)(H,35,36)/t21-,27?/m0/s1
InChiKey: KJGIGJJWYWBTFI-LWAJAQLZSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	integrin, beta 1 (fibronectin receptor, beta polypeptide, antigen CD29 includes MDF2, MSK12)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	integrin beta subunit	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-PS precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Loa Loa (eye worm)	integrin beta-2	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus multilocularis	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	Integrin beta-3 precursor, putative	Get druggable targets OG5_127959	All targets in OG5_127959
Echinococcus granulosus	integrin beta 2	Get druggable targets OG5_127959	All targets in OG5_127959
Brugia malayi	Integrin beta pat-3 precursor	Get druggable targets OG5_127959	All targets in OG5_127959
Schistosoma japonicum	ko:K06464 integrin beta 2, putative	Get druggable targets OG5_127959	All targets in OG5_127959

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
Onchocerca volvulus	Protein UBASH3A homolog	0.0066	0.0111	0.0104
Echinococcus granulosus	geminin	0.0194	0.044	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0271	0.0638	0.0635
Leishmania major	phosphoglycerate mutase, putative	0.0066	0.0111	0.0107
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0066	0.0111	1
Schistosoma mansoni	hypothetical protein	0.0055	0.0083	0.008
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0012	0.0009
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3915	1	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0111	0.0107
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0066	0.0111	1
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0083	0.008
Brugia malayi	UBASH3A protein homolog	0.0066	0.0111	0.1179
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Echinococcus multilocularis	chromobox protein 1	0.0058	0.009	0.0087
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0066	0.0111	0.5
Schistosoma mansoni	chromobox protein	0.0058	0.009	0.0087
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0066	0.0111	0.5
Brugia malayi	Importin beta-1 subunit	0.0033	0.0026	0.0247
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0066	0.0111	1
Leishmania major	hypothetical protein, conserved	0.0066	0.0111	0.0107
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0012	0.0009
Trichomonas vaginalis	ran, putative	0.0024	0.0003	0.03
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0066	0.0111	0.0107
Onchocerca volvulus		0.0066	0.0111	0.0104
Mycobacterium tuberculosis	Conserved protein	0.0066	0.0111	0.5
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.231	0.5878	1
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0066	0.0111	0.0107
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0024	0.221
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0066	0.0111	0.0107
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0066	0.0111	0.0107
Schistosoma mansoni	6-phosphofructokinase	0.3915	1	1
Brugia malayi	phosphoglycerate mutase family protein	0.0066	0.0111	0.1179
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0086	0.0162	0.1748
Mycobacterium tuberculosis	Conserved protein	0.0066	0.0111	0.5
Brugia malayi	T-complex protein 1, beta subunit	0.0028	0.0012	0.0097
Onchocerca volvulus		0.3915	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3915	1	1
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Brugia malayi	intermediate filament protein	0.0028	0.0013	0.0107
Trichomonas vaginalis	chromobox protein, putative	0.0058	0.009	0.8146
Echinococcus multilocularis	survival motor neuron protein 1	0.0271	0.0638	0.0635
Echinococcus granulosus	survival motor neuron protein 1	0.0271	0.0638	0.0635
Echinococcus multilocularis	geminin	0.0194	0.044	0.0437
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0066	0.0111	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0058	0.009	0.0087
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3915	1	1
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0066	0.0111	1
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0066	0.0111	0.5
Entamoeba histolytica	hypothetical protein	0.003	0.0018	0.0025
Echinococcus multilocularis	snurportin 1	0.0353	0.0848	0.0845
Echinococcus multilocularis	lamin	0.0028	0.0013	0.001
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.001	0.0876
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.167	0.4233	0.4231
Schistosoma mansoni	lamin	0.0028	0.0013	0.001
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0353	0.0848	0.0845
Echinococcus granulosus	phosphoglycerate mutase	0.0066	0.0111	0.0107
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.3849	0.983	0.983
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0066	0.0111	0.0107
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0026	0.0022
Mycobacterium leprae	conserved hypothetical protein	0.0066	0.0111	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Echinococcus granulosus	chromobox protein 1	0.0058	0.009	0.0087
Echinococcus granulosus	chaperonin containing TCP1 subunit 2 beta	0.0028	0.0012	0.0009
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3849	0.983	0.983
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Echinococcus granulosus	phosphoglycerate mutase	0.0066	0.0111	0.0107
Brugia malayi	chromobox protein homolog 3	0.0033	0.0024	0.0232
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0086	0.0162	0.0159
Echinococcus multilocularis	neuropeptide s receptor	0.0483	0.1181	0.1178
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0066	0.0111	0.5
Plasmodium falciparum	phosphoglucomutase-2	0.0066	0.0111	1
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0066	0.0111	0.0107
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0066	0.0111	0.0107
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0066	0.0111	0.0107
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0066	0.0111	0.0107
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0083	0.0876
Brugia malayi	T-complex protein 1, beta subunit	0.0028	0.0012	0.0097
Loa Loa (eye worm)	phosphoglycerate mutase	0.0066	0.0111	0.0107
Mycobacterium leprae	probable isochorismate synthase EntC	0.0066	0.0111	0.5
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.001	0.0006
Trichomonas vaginalis	chaperonin, putative	0.0028	0.0012	0.1096
Onchocerca volvulus		0.0028	0.0013	0.0007
Mycobacterium leprae	conserved hypothetical protein	0.0066	0.0111	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.3849	0.983	0.983
Brugia malayi	Integrin beta pat-3 precursor	0.0378	0.0913	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Entamoeba histolytica	hypothetical protein	0.003	0.0018	0.0025
Brugia malayi	Heterochromatin protein 1	0.0058	0.009	0.0954
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.167	0.4233	0.4231
Echinococcus multilocularis	chaperonin containing TCP1, subunit 2 (beta)	0.0028	0.0012	0.0009
Echinococcus multilocularis	integrin beta 2	0.028	0.0661	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0006	0.0003
Brugia malayi	hypothetical protein	0.003	0.0018	0.016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0086	0.0162	0.0159
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0066	0.0111	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0066	0.0111	0.0104
Onchocerca volvulus		0.0055	0.0083	0.0077
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0024	0.221
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0111	0.0107
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0086	0.0162	0.0159
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0066	0.0111	0.0107
Schistosoma mansoni	phosphoglycerate mutase	0.0066	0.0111	0.0107
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0066	0.0111	1
Loa Loa (eye worm)	hypothetical protein	0.3915	1	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0013	0.001
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0026	0.0022
Trichomonas vaginalis	chaperonin-60kD, ch60, putative	0.0028	0.0012	0.1096
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0026	0.0022
Leishmania major	hypothetical protein, conserved	0.0066	0.0111	0.0107
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Toxoplasma gondii	phosphoglycerate mutase	0.0066	0.0111	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0013	0.001
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0086	0.0162	0.0159
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.3915	1	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Leishmania major	importin beta-1 subunit, putative	0.0027	0.001	0.0006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0086	0.0162	0.0159
Schistosoma mansoni	hypothetical protein	0.0353	0.0848	0.0845
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0026	0.2093
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Echinococcus granulosus	neuropeptide receptor A26	0.0483	0.1181	0.1178
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.001	0.0876
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0066	0.0111	0.0107
Schistosoma mansoni	chaperonin containing t-complex protein 1 beta subunit tcpb	0.0028	0.0012	0.0009
Trichomonas vaginalis	chromobox protein, putative	0.0058	0.009	0.8146
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Giardia lamblia	TCP-1 chaperonin subunit beta	0.0028	0.0012	0.0015
Onchocerca volvulus	Protein UBASH3A homolog	0.0066	0.0111	0.0104
Brugia malayi	hypothetical protein	0.0057	0.0088	0.0936
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0066	0.0111	0.0107
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0013	0.0107
Brugia malayi	hypothetical protein	0.0271	0.0638	0.698
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0033	0.0024	0.0018
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Onchocerca volvulus		0.0066	0.0111	0.0104
Giardia lamblia	Hypothetical protein	0.231	0.5878	1
Leishmania major	hypothetical protein, conserved	0.0066	0.0111	0.0107
Loa Loa (eye worm)	T-complex protein 1	0.0028	0.0012	0.0009
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0066	0.0111	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0483	0.1181	0.1178
Plasmodium falciparum	importin beta, putative	0.0033	0.0026	0.2093
Echinococcus granulosus	phosphoglycerate mutase	0.0066	0.0111	0.0107
Brugia malayi	Kelch motif family protein	0.0057	0.0088	0.0936
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0013	0.001
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0066	0.0111	0.0107
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0066	0.0111	0.5
Brugia malayi	RNA, U transporter 1	0.0094	0.0183	0.1971
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0066	0.0111	0.0107
Echinococcus multilocularis	chromobox protein 1	0.0058	0.009	0.0087
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0013	0.001
Schistosoma mansoni	lamin	0.0028	0.0013	0.001
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0111	0.0107
Echinococcus multilocularis	neuropeptide receptor A26	0.0483	0.1181	0.1178
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.003	0.0018	0.0015
Entamoeba histolytica	hypothetical protein	0.003	0.0018	0.0025
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Schistosoma mansoni	integrin beta subunit	0.0223	0.0513	0.051
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0066	0.0111	1
Schistosoma mansoni	hypothetical protein	0.0194	0.044	0.0437
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0057	0.0088	0.0085
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0066	0.0111	0.0107
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0026	0.2093
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.167	0.4233	0.4231
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0013	0.001
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0066	0.0111	0.5
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0066	0.0111	0.0107
Mycobacterium leprae	conserved hypothetical protein	0.0066	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0088	0.0085
Onchocerca volvulus		0.0066	0.0111	0.0104
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.231	0.5878	1
Plasmodium vivax	phosphoglucomutase-2, putative	0.0066	0.0111	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3915	1	1
Echinococcus multilocularis	musashi	0.0028	0.0013	0.001
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Trypanosoma cruzi	T-complex protein 1, beta subunit, putative	0.0028	0.0012	0.0009
Schistosoma mansoni	hypothetical protein	0.0066	0.0111	0.0107
Trichomonas vaginalis	chromobox protein, putative	0.0035	0.0031	0.2785
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.3849	0.983	0.983
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0111	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0066	0.0111	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0035	0.0031	0.0024
Plasmodium falciparum	T-complex protein 1 subunit beta	0.0028	0.0012	0.0821
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0066	0.0111	0.5
Schistosoma mansoni	importin beta-1	0.0033	0.0026	0.0022
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Echinococcus granulosus	lamin	0.0028	0.0013	0.001
Echinococcus granulosus	chromobox protein 1	0.0058	0.009	0.0087
Plasmodium vivax	phosphoglycerate mutase, putative	0.0066	0.0111	1
Echinococcus granulosus	lamin dm0	0.0028	0.0013	0.001
Entamoeba histolytica	hypothetical protein	0.003	0.0018	0.0025
Echinococcus granulosus	intermediate filament protein	0.0028	0.0013	0.001
Loa Loa (eye worm)	hypothetical protein	0.3849	0.983	0.983
Brugia malayi	phosphoglycerate mutase family protein	0.0066	0.0111	0.1179
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0066	0.0111	0.0183
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.001	0.0876
Treponema pallidum	phosphoglyceromutase	0.0066	0.0111	0.5
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0066	0.0111	0.5
Leishmania major	hypothetical protein, unknown function	0.0066	0.0111	0.0107
Leishmania major	phosphoglycerate mutase protein, putative	0.0066	0.0111	0.0107
Onchocerca volvulus		0.0028	0.0013	0.0007
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0066	0.0111	0.0107
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0066	0.0111	0.0107
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0111	1
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0066	0.0111	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0024	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0026	0.0022
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0086	0.0162	0.0159
Onchocerca volvulus	Protein UBASH3A homolog	0.0066	0.0111	0.0104
Trichomonas vaginalis	chromobox protein, putative	0.0035	0.0031	0.2785
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0012	0.0008
Toxoplasma gondii	t-complex protein beta subunit	0.0028	0.0012	0.0821
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0066	0.0111	0.0183
Echinococcus granulosus	snurportin 1	0.0353	0.0848	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0111	0.0107
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0066	0.0111	1
Loa Loa (eye worm)	hypothetical protein	0.2244	0.5708	0.5706
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0086	0.0162	0.0159
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0086	0.0162	0.0159
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0066	0.0111	0.0107
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0066	0.0111	1
Leishmania major	T-complex protein 1, beta subunit, putative	0.0028	0.0012	0.0009
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0066	0.0111	0.0107
Trypanosoma brucei	T-complex protein 1, beta subunit, putative	0.0028	0.0012	0.0009
Entamoeba histolytica	hypothetical protein	0.0027	0.001	0.0011
Echinococcus granulosus	integrin beta 2	0.028	0.0661	0.0658
Giardia lamblia	Hypothetical protein	0.231	0.5878	1
Echinococcus granulosus	phosphoglycerate mutase	0.0066	0.0111	0.0107
Entamoeba histolytica	T-complex protein 1 beta subunit, putative	0.0028	0.0012	0.0015
Plasmodium vivax	T-complex protein 1 subunit beta, putative	0.0028	0.0012	0.0821
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0066	0.0111	1
Schistosoma mansoni	hypothetical protein	0.0194	0.044	0.0437
Schistosoma mansoni	hypothetical protein	0.003	0.0018	0.0015
Schistosoma mansoni	chromobox protein	0.0058	0.009	0.0087
Schistosoma mansoni	transcription factor LCR-F1	0.003	0.0018	0.0015
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0026	0.0022
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.003	0.0018	0.0015
Mycobacterium ulcerans	hypothetical protein	0.231	0.5878	1
Leishmania major	glycerolphosphate mutase, putative	0.0066	0.0111	0.0107
Echinococcus multilocularis	phosphoglycerate mutase	0.0066	0.0111	0.0107
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.167	0.4233	0.4231
Schistosoma mansoni	phosphoglycerate mutase	0.0066	0.0111	0.0107
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0066	0.0111	0.0183
Echinococcus granulosus	phosphoglycerate mutase	0.0066	0.0111	0.0107
Loa Loa (eye worm)	integrin beta-2	0.0378	0.0913	0.091
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0066	0.0111	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0066	0.0111	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0066	0.0111	0.0107
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0066	0.0111	0.0107

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.2 uM	Antagonist activity at VLA-4 receptor in human U937 cells assessed as inhibition of VCAM-1 binding by MTT assay	ChEMBL.	23312947

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: CHEMBL2391493

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1776691