TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 558.554 | Formula: C31H27FN2O7
H donors: 0 H acceptors: 4 LogP: 4.38 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(OC)c(c(c1)C)Cn1cc(F)c(=O)n(c1=O)CCc1ccccc1
InChi: 1S/C31H27FN2O7/c1-17-12-20-26(28(36)25-21(27(20)35)13-19(39-2)14-24(25)40-3)29(41-4)22(17)15-33-16-23(32)30(37)34(31(33)38)11-10-18-8-6-5-7-9-18/h5-9,12-14,16H,10-11,15H2,1-4H3
InChiKey: FYGGKNOBVOLHBV-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

No synonyms found for this compound

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
Onchocerca volvulus	Peroxidasin homolog	0.0029	0.0067	0.0036
Echinococcus multilocularis	presenilin enhancer 2	0.0191	0.1176	0.2599
Echinococcus multilocularis	Immunoglobulin	0.0035	0.0112	0.0211
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0116	0.022
Echinococcus granulosus	Immunoglobulin	0.0037	0.0121	0.0232
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0032	0.0087	0.0055
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0331	0.2135	0.475
Brugia malayi	hypothetical protein	0.0071	0.0357	0.0326
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0068	0.0338	0.0307
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Brugia malayi	protein unc-22	0.0032	0.0087	0.0055
Brugia malayi	Disorganized muscle protein 1	0.0029	0.0067	0.0035
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0035	0.0112	0.0189
Schistosoma mansoni	cell adhesion molecule	0.0065	0.0318	0.0605
Entamoeba histolytica	hypothetical protein	0.0036	0.0119	0.0468
Schistosoma mansoni	cell adhesion molecule	0.0065	0.0318	0.0605
Schistosoma mansoni	subfamily M23B non-peptidase homologue (M23 family)	0.0029	0.0067	0.0099
Brugia malayi	Protein kinase domain containing protein	0.0089	0.0478	0.0447
Brugia malayi	Fibronectin type III domain containing protein	0.0035	0.0112	0.008
Schistosoma mansoni	septate junction protein	0.0065	0.0318	0.0605
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.0048	0.0196	0.0165
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Brugia malayi	Immunoglobulin domain containing protein	0.0037	0.0121	0.009
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0121	0.009
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0032	0.0057
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0203	0.1262	0.4831
Brugia malayi	Immunoglobulin domain containing protein	0.0037	0.0121	0.009
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Schistosoma mansoni	nephrin	0.0065	0.0318	0.0605
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.0047	0.0194	0.0396
Brugia malayi	hypothetical protein	0.0035	0.0112	0.008
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0196	0.2881
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0032	0.0087	0.0055
Brugia malayi	Blistered cuticle protein 3	0.0034	0.0099	0.0068
Brugia malayi	basement membrane proteoglycan	0.0037	0.0121	0.009
Brugia malayi	MH2 domain containing protein	0.0119	0.0686	0.0656
Echinococcus multilocularis	epidermal growth factor receptor	0.0388	0.2531	0.5638
Onchocerca volvulus		0.1388	0.9379	0.9665
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0307	0.1144
Brugia malayi	Peroxidasin	0.0066	0.0321	0.029
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0734	0.0705
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0037	0.0121	0.0209
Echinococcus multilocularis	Nicastrin	0.0099	0.0548	0.1191
Schistosoma mansoni	tyrosine kinase	0.0331	0.2135	0.4265
Echinococcus granulosus	neuroglian	0.0065	0.0318	0.0674
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Echinococcus granulosus	raf serine:threonine protein kinase	0.0231	0.1451	0.3216
Schistosoma mansoni	tyrosine kinase	0.0388	0.2531	0.5063
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0032	0.0125
Schistosoma mansoni	tyrosine kinase	0.0331	0.2135	0.4265
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0196	0.2655
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.039	0.2545	0.2521
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Trichomonas vaginalis	Nicastrin precursor, putative	0.0099	0.0548	0.2069
Schistosoma mansoni	titin	0.0032	0.0087	0.014
Loa Loa (eye worm)	immunoglobulin domain-containing protein	0.0037	0.0121	0.009
Loa Loa (eye worm)	one IG domain family member	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0101	0.056	0.053
Onchocerca volvulus	Netrin receptor homolog	0.0029	0.0067	0.0036
Onchocerca volvulus		0.0029	0.0067	0.0036
Loa Loa (eye worm)	raf kinase	0.0212	0.1324	0.1296
Schistosoma mansoni	nephrin related	0.0029	0.0067	0.0099
Echinococcus granulosus	hemicentin 1	0.0065	0.0318	0.0674
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0307	0.0649
Schistosoma mansoni	hemicentin	0.0029	0.0067	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0037	0.0121	0.0209
Schistosoma mansoni	nephrin related	0.0037	0.0121	0.0209
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Echinococcus multilocularis	hemicentin 1	0.0065	0.0318	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Echinococcus multilocularis	hemicentin 1	0.0065	0.0318	0.0674
Brugia malayi	Immunoglobulin domain containing protein	0.0037	0.0121	0.009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Echinococcus multilocularis	epidermal growth factor receptor	0.066	0.4393	0.9815
Onchocerca volvulus		0.0032	0.0087	0.0057
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Loa Loa (eye worm)	TK/ROR protein kinase	0.0047	0.0194	0.0163
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.0454	0.2983	0.6652
Brugia malayi	basement membrane proteoglycan precursor	0.0037	0.0121	0.009
Echinococcus granulosus	microtubule associated protein 2	0.0672	0.4476	1
Trypanosoma brucei	Presenilin enhancer-2 subunit of gamma secretase, putative	0.0057	0.0263	0.0971
Onchocerca volvulus		0.0029	0.0067	0.0036
Echinococcus granulosus	down syndrome cell adhesion	0.0029	0.0067	0.011
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.039	0.2545	0.5669
Schistosoma mansoni	septate junction protein	0.0065	0.0318	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0363	0.0332
Brugia malayi	Presenilin family protein	0.0203	0.1262	0.1234
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0123	0.0236
Echinococcus multilocularis	leucine rich repeats and immunoglobulin	0.0029	0.0069	0.0117
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0484	0.3189	0.3167
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0034	0.0099	0.0324
Echinococcus multilocularis	low density lipoprotein receptor (ldl)	0.0037	0.0121	0.0232
Brugia malayi	Leucine Rich Repeat family protein	0.0029	0.0069	0.0038
Schistosoma mansoni	cell adhesion molecule	0.0029	0.0067	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.008
Trypanosoma cruzi	Nicastrin, putative	0.0036	0.0119	0.0402
Entamoeba histolytica	presenilin 1 peptidase, putative	0.0203	0.1262	0.4959
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus multilocularis	microtubule associated protein 2	0.0672	0.4476	1
Loa Loa (eye worm)	CAMK protein kinase	0.0032	0.0087	0.0055
Trichomonas vaginalis	CAMK family protein kinase	0.0398	0.2597	1
Brugia malayi	gamma-secretase subunit aph-1	0.0484	0.3189	0.3167
Schistosoma mansoni	cell adhesion molecule	0.0037	0.0121	0.0209
Echinococcus multilocularis	down syndrome cell adhesion	0.0029	0.0067	0.011
Schistosoma mansoni	cell adhesion molecule	0.0072	0.0363	0.0696
Leishmania major	ferric reductase, putative	0.0034	0.0099	0.0324
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0069	0.0038
Brugia malayi	Prion-like-	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.039	0.2545	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0331	0.2135	0.475
Schistosoma mansoni	low-density lipoprotein receptor (ldl)	0.0037	0.0121	0.0209
Onchocerca volvulus		0.0029	0.0067	0.0036
Echinococcus multilocularis	pro neuregulin 2, membrane bound	0.0037	0.0121	0.0232
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.0048	0.0196	0.0165
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0203	0.1262	0.4831
Brugia malayi	hypothetical protein	0.0099	0.0548	0.0518
Loa Loa (eye worm)	LAD-2 short isoform	0.0037	0.0121	0.009
Onchocerca volvulus	Dual oxidase homolog	0.0034	0.0099	0.007
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.012	0.069	1
Brugia malayi	Presenilin spe-4	0.0071	0.0357	0.0326
Schistosoma mansoni	tyrosine kinase	0.0084	0.0445	0.0862
Brugia malayi	Prion-like-	0.0029	0.0067	0.0035
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0124	0.0092
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.0048	0.0196	0.0907
Echinococcus granulosus	Opioid binding protein:cell adhesion molecule	0.0029	0.0067	0.011
Loa Loa (eye worm)	animal heme peroxidase	0.0029	0.0067	0.0035
Echinococcus granulosus	insulin growth factor binding	0.0029	0.0067	0.011
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Onchocerca volvulus		0.0029	0.0067	0.0036
Schistosoma mansoni	tyrosine kinase	0.0388	0.2531	0.5063
Entamoeba histolytica	hypothetical protein	0.0036	0.0116	0.0455
Brugia malayi	Raf kinase	0.0223	0.14	0.1373
Echinococcus granulosus	peroxidasin	0.0066	0.0321	0.068
Toxoplasma gondii	hypothetical protein	0.0057	0.0263	0.3959
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0203	0.1262	0.4924
Brugia malayi	Furin-like cysteine rich region family protein	0.066	0.4393	0.4375
Echinococcus multilocularis	twitchin	0.0032	0.0087	0.0156
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0301	0.027
Trypanosoma cruzi	Aph-1 protein, putative	0.0189	0.1163	0.4533
Schistosoma mansoni	hypothetical protein	0.004	0.0147	0.026
Trypanosoma cruzi	Aph-1 protein, putative	0.0189	0.1163	0.4533
Echinococcus granulosus	tyrosine protein kinase otk	0.0065	0.0318	0.0674
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0029	0.0067	0.011
Echinococcus granulosus	roundabout 2	0.0065	0.0318	0.0674
Brugia malayi	hypothetical protein	0.0071	0.0357	0.0326
Plasmodium falciparum	MO15-related protein kinase	0.012	0.069	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Brugia malayi	hypothetical protein	0.0036	0.0116	0.0084
Echinococcus granulosus	gamma secretase subunit aph 1	0.0484	0.3189	0.7113
Onchocerca volvulus		0.0029	0.0067	0.0036
Toxoplasma gondii	TIM10 family protein, putative	0.0048	0.0196	0.2881
Trypanosoma brucei	ferric reductase transmembrane protein, putative	0.0034	0.0099	0.0324
Brugia malayi	Protein kinase domain containing protein	0.0295	0.1894	0.1868
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0307	0.0583
Echinococcus multilocularis	titin	0.0029	0.0067	0.011
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0037	0.0121	0.009
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0121	0.009
Echinococcus granulosus	expressed protein	0.0048	0.0196	0.0401
Onchocerca volvulus	Peroxidasin homolog	0.0032	0.0086	0.0056
Schistosoma mansoni	septate junction protein	0.0037	0.0121	0.0209
Echinococcus multilocularis	Immunoglobulin	0.0035	0.0112	0.0211
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.0295	0.1894	0.4209
Schistosoma mansoni	serine/threonine protein kinase	0.0231	0.1451	0.2888
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0121	0.009
Echinococcus granulosus	nephrin	0.0029	0.0067	0.011
Trypanosoma cruzi	polo-like protein kinase, putative	0.039	0.2545	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0121	0.009
Trichomonas vaginalis	Nicastrin precursor, putative	0.0099	0.0548	0.2069
Onchocerca volvulus		0.0029	0.0067	0.0036
Echinococcus granulosus	insulin receptor	0.0331	0.2135	0.475
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0035	0.0112	0.0189
Schistosoma mansoni	subfamily A22A unassigned peptidase (A22 family)	0.0203	0.1262	0.2506
Echinococcus multilocularis	Immunoglobulin	0.0037	0.0121	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.008
Schistosoma mansoni	peroxidasin	0.0037	0.0124	0.0214
Echinococcus multilocularis		0.0199	0.1231	0.2722
Echinococcus multilocularis	cell adhesion molecule:down regulated by	0.0037	0.0121	0.0232
Echinococcus multilocularis	titin	0.0029	0.0067	0.011
Echinococcus multilocularis	pro neuregulin 2, membrane bound	0.0029	0.0067	0.011
Echinococcus granulosus	low density lipoprotein receptor ldl	0.0037	0.0121	0.0232
Schistosoma mansoni	basigin related	0.0037	0.0121	0.0209
Echinococcus granulosus	presenilin	0.0203	0.1262	0.2791
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0065	0.0318	0.0287
Brugia malayi	Presenilin spe-4	0.0071	0.0357	0.0326
Entamoeba histolytica	hypothetical protein	0.0036	0.0116	0.0455
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.0295	0.1894	0.1868
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0069	0.0038
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.0047	0.0194	0.0396
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0065	0.0318	0.0605
Brugia malayi	hypothetical protein	0.0071	0.0357	0.0326
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Echinococcus granulosus	leucine rich repeat serine:threonine protein	0.0297	0.1908	0.424
Entamoeba histolytica	serine/threonine protein kinase, putative	0.039	0.2545	1
Echinococcus multilocularis	tyrosine protein kinase otk	0.0065	0.0318	0.0674
Leishmania major	presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative	0.0203	0.1262	0.4924
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0037	0.0121	0.0209
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0032	0.0057
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0298	0.1912	0.1886
Onchocerca volvulus		0.0029	0.0067	0.0036
Echinococcus granulosus	roundabout 2	0.0101	0.056	0.1216
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.0686	0.0656
Entamoeba histolytica	protein kinase domain containing protein	0.0022	0.0017	0.0069
Schistosoma mansoni	septate junction protein	0.0037	0.0121	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Onchocerca volvulus		0.0029	0.0069	0.0039
Trypanosoma brucei	presenilin-like aspartic peptidase, putative	0.0203	0.1262	0.4924
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0307	0.1205
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Entamoeba histolytica	hypothetical protein	0.0036	0.0116	0.0455
Echinococcus multilocularis	expressed protein	0.0048	0.0196	0.0401
Trypanosoma cruzi	polo-like protein kinase, putative	0.039	0.2545	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Echinococcus granulosus	leucine rich repeat containing protein 4	0.0029	0.0067	0.011
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0231	0.1451	0.3216
Loa Loa (eye worm)	hypothetical protein	0.0101	0.056	0.053
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Echinococcus multilocularis	netrin receptor unc 5	0.0037	0.0121	0.0232
Schistosoma mansoni	vesicular amine transporter	0.0035	0.0112	0.0189
Schistosoma mansoni	cell adhesion molecule	0.0037	0.0121	0.0209
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM23, putative	0.004	0.0147	0.1922
Echinococcus granulosus	netrin receptor unc 5	0.0037	0.0121	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0065	0.0318	0.0296
Brugia malayi	Myb-like DNA-binding domain containing protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	TK/INSR protein kinase	0.0331	0.2135	0.211
Trypanosoma brucei	Nicastrin, putative	0.0036	0.0119	0.0402
Echinococcus granulosus	presenilin enhancer 2	0.0191	0.1176	0.2599
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0032	0.0125
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Echinococcus multilocularis	roundabout 2	0.0065	0.0318	0.0674
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.0545	0.2058
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0121	0.009
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0123	0.0236
Schistosoma mansoni	basigin related	0.0037	0.0121	0.0209
Echinococcus granulosus	titin	0.0032	0.0087	0.0156
Brugia malayi	Presenilin-like protein At2g29900	0.0071	0.0357	0.0326
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.039	0.2545	0.5669
Echinococcus granulosus	contactin	0.0065	0.0318	0.0674
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.004	0.0147	0.0115
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0032	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0029	0.0067	0.0035
Echinococcus multilocularis	leucine rich repeat containing protein 4	0.0037	0.0121	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Schistosoma mansoni	cell adhesion molecule	0.0029	0.0067	0.0099
Echinococcus granulosus	nicalin	0.0036	0.0119	0.0228
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0065	0.0318	0.0674
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	pro neuregulin 2 membrane bound	0.0029	0.0067	0.011
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Echinococcus multilocularis	roundabout 2	0.0065	0.0318	0.0674
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0112	0.0637	1
Echinococcus multilocularis		0.0029	0.0067	0.011
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0138	0.0818	0.0789
Echinococcus multilocularis	insulin growth factor binding	0.0029	0.0067	0.011
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0032	0.5
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0065	0.0318	0.0605
Echinococcus multilocularis	peroxidasin	0.0066	0.0321	0.068
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0047	0.0194	0.0163
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0065	0.0318	0.0674
Giardia lamblia	Kinase, PLK	0.039	0.2545	0.5
Echinococcus granulosus	titin	0.0029	0.0067	0.011
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0307	0.0276
Schistosoma mansoni	titin	0.0065	0.0318	0.0605
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Brugia malayi	hypothetical protein	0.0037	0.0121	0.009
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0484	0.3189	0.6388
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Leishmania major	hypothetical protein, conserved	0.0057	0.0263	0.0971
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0065	0.0318	0.0674
Echinococcus granulosus	pro neuregulin 2 membrane bound	0.0037	0.0121	0.0232
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0065	0.0318	0.0674
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.004	0.0147	0.0115
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Trypanosoma cruzi	ferric reductase transmembrane protein, putative	0.0034	0.0099	0.0324
Trypanosoma brucei	polo-like protein kinase	0.039	0.2545	1
Echinococcus granulosus	twitchin	0.0067	0.0329	0.0698
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Brugia malayi	Mitochondrial import inner membrane translocase subunit Tim17 family protein	0.004	0.0147	0.0115
Schistosoma mansoni	kinase	0.0746	0.4982	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.008
Schistosoma mansoni	roundabout	0.0065	0.0318	0.0605
Entamoeba histolytica	hypothetical protein	0.0036	0.0116	0.0455
Brugia malayi	Heparan sulfate	0.0037	0.0121	0.009
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0032	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.008
Echinococcus granulosus	Nicastrin	0.0099	0.0548	0.1191
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0065	0.0318	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Schistosoma mansoni	neuroglian	0.0065	0.0318	0.0605
Echinococcus granulosus	3'partial\|cell adhesion molecule:down regulated by	0.0037	0.0121	0.0232
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0109	0.0614	0.1202
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0235	0.1479	0.1452
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0307	0.1144
Echinococcus multilocularis	lachesin	0.0065	0.0318	0.0674
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0307	0.1144
Onchocerca volvulus	Tyrosine kinase homolog	0.1435	0.9704	1
Brugia malayi	kettin	0.0029	0.0067	0.0035
Schistosoma mansoni	slit	0.0029	0.0069	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0321	0.029
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0032	0.5
Schistosoma mansoni	netrin receptor unc5	0.0037	0.0121	0.0209
Schistosoma mansoni	basigin related	0.0037	0.0121	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0112	0.008
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0032	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0032	0.0125
Schistosoma mansoni	hypothetical protein	0.0099	0.0548	0.1069
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0037	0.0121	0.0232
Echinococcus multilocularis	nicalin	0.0036	0.0119	0.0228
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0037	0.0121	0.0232
Toxoplasma gondii	hypothetical protein	0.0071	0.0357	0.5481
Brugia malayi	Protein kinase domain containing protein	0.0331	0.2135	0.211
Trypanosoma cruzi	Nicastrin, putative	0.0036	0.0119	0.0402
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0307	0.0276
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0121	0.009
Brugia malayi	gamma-secretase subunit pen-2	0.0191	0.1176	0.1148
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0037	0.0121	0.0209
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.0686	0.0656
Schistosoma mansoni	microtubule-associated protein tau	0.0672	0.4476	0.898
Echinococcus multilocularis	Nicastrin	0.0099	0.0548	0.1191
Onchocerca volvulus		0.0029	0.0067	0.0036
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Loa Loa (eye worm)	TK protein kinase	0.0047	0.0194	0.0163
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0035	0.0112	0.008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0032	0.5
Entamoeba histolytica	hypothetical protein	0.0021	0.0014	0.0053
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	lachesin	0.0065	0.0318	0.0674
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0032	0.5
Echinococcus granulosus	titin	0.0029	0.0067	0.011
Echinococcus granulosus	Immunoglobulin	0.0035	0.0112	0.0211
Echinococcus granulosus	epidermal growth factor receptor	0.0388	0.2531	0.5638
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0032	0.5
Echinococcus multilocularis	insulin receptor	0.0331	0.2135	0.475
Echinococcus granulosus	roundabout 2	0.0065	0.0318	0.0674
Echinococcus granulosus	titin	0.0029	0.0067	0.011
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	basement membrane specific heparan sulfate	0.0037	0.0121	0.0232
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.0048	0.0196	0.036
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.0454	0.2983	0.6652
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0065	0.0318	0.0287
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Echinococcus multilocularis	titin	0.0032	0.0087	0.0156
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Toxoplasma gondii	mitochondrial inner membrane translocase subunit TIM17, putative	0.004	0.0147	0.2086
Schistosoma mansoni	netrin receptor unc5	0.0037	0.0121	0.0209
Echinococcus multilocularis	Immunoglobulin subtype	0.0037	0.0121	0.0232
Brugia malayi	Prion-like-	0.0065	0.0318	0.0287
Echinococcus granulosus	neuroglian	0.0064	0.0308	0.0653
Loa Loa (eye worm)	blistered cuticle protein 3	0.0034	0.0099	0.0068
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0032	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0087	0.014
Echinococcus multilocularis	titin	0.0029	0.0067	0.011
Echinococcus granulosus	defective proboscis extension response	0.0035	0.0112	0.0211
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0548	0.0518
Loa Loa (eye worm)	gamma-secretase subunit pen-2	0.0191	0.1176	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Loa Loa (eye worm)	hypothetical protein	0.004	0.0147	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0318	0.0287
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	Immunoglobulin subtype	0.0037	0.0121	0.0232
Trypanosoma brucei	Aph-1 protein, putative	0.0189	0.1163	0.4533
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0388	0.2531	0.5638
Brugia malayi	hypothetical protein	0.0099	0.0548	0.0518
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0032	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0114	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Brugia malayi	hypothetical protein	0.0037	0.012	0.0088
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Brugia malayi	hypothetical protein	0.0037	0.012	0.0088
Schistosoma mansoni	cell adhesion molecule	0.0065	0.0318	0.0605
Echinococcus multilocularis	neuroglian	0.0064	0.0308	0.0653
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0065	0.0318	0.0674
Loa Loa (eye worm)	hypothetical protein	0.007	0.035	0.0319
Brugia malayi	Prion-like-	0.0029	0.0067	0.0035
Onchocerca volvulus	Serine\/threonine kinase homolog	0.039	0.2545	0.2598
Schistosoma mansoni	serine/threonine protein kinase	0.0032	0.0087	0.014
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0121	0.009
Echinococcus multilocularis	Immunoglobulin	0.0037	0.0121	0.0232
Trichomonas vaginalis	Clan AD, family A22, presenilin-like aspartic peptidase	0.0203	0.1262	0.4831
Echinococcus multilocularis	transfer RNA-Phe	0.0029	0.0067	0.011
Schistosoma mansoni	tyrosine kinase	0.037	0.2403	0.4806
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0032	0.5
Schistosoma mansoni	tyrosine kinase	0.066	0.4393	0.8814
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0035	0.0112	0.0211
Schistosoma mansoni	tyrosine kinase	0.037	0.2403	0.4806
Loa Loa (eye worm)	disorganized muscle protein 1	0.0029	0.0067	0.0035
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Schistosoma mansoni	hypothetical protein	0.0036	0.0116	0.0198
Echinococcus multilocularis	mitochondrial import inner membrane translocase subunit TIM23, putative	0.004	0.0147	0.029
Brugia malayi	Wrapper/rega-1/klingon homolog protein 1	0.0029	0.0067	0.0035
Echinococcus granulosus	leucine rich repeats and immunoglobulin	0.0029	0.0069	0.0117
Echinococcus multilocularis	roundabout 2	0.0101	0.056	0.1216
Echinococcus granulosus	titin	0.0032	0.0087	0.0156
Trichomonas vaginalis	CAMK family protein kinase	0.039	0.2545	0.9795
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0072	0.0363	0.0775
Trichomonas vaginalis	CAMK family protein kinase	0.0099	0.0545	0.2058
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0067	0.0035
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0121	0.009
Echinococcus granulosus	Immunoglobulin	0.0037	0.0121	0.0232
Loa Loa (eye worm)	TK/EGFR protein kinase	0.066	0.4393	0.4375
Brugia malayi	Presenilin spe-4	0.0071	0.0357	0.0326
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0065	0.0318	0.0287
Brugia malayi	serine/threonine-protein kinase plk-2	0.039	0.2545	0.2521
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Schistosoma mansoni	serine/threonine protein kinase	0.039	0.2545	0.509
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Schistosoma mansoni	hypothetical protein	0.0029	0.0067	0.0099
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0307	0.1144
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0065	0.0318	0.0674
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0116	0.0198
Loa Loa (eye worm)	presenilin spe-4	0.0071	0.0357	0.0326
Schistosoma mansoni	titin	0.0029	0.0067	0.0099
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0037	0.0121	0.0232
Echinococcus multilocularis	presenilin	0.0203	0.1262	0.2791
Onchocerca volvulus	Putative titin	0.0029	0.0067	0.0036
Echinococcus multilocularis	Opioid binding protein:cell adhesion molecule	0.0029	0.0067	0.011
Trypanosoma cruzi	presenilin-like aspartic peptidase, putative	0.0203	0.1262	0.4924
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0116	0.022
Loa Loa (eye worm)	projectin	0.0029	0.0067	0.0035
Schistosoma mansoni	tyrosine kinase	0.037	0.2403	0.4806
Schistosoma mansoni	myosin-binding protein-related	0.0029	0.0067	0.0099
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0484	0.3189	0.7113
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0037	0.0121	0.009
Schistosoma mansoni	hypothetical protein	0.0037	0.0121	0.0209
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0029	0.0067	0.0035
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0032	0.5
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0307	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035
Onchocerca volvulus		0.0029	0.0067	0.0036
Echinococcus granulosus	epidermal growth factor receptor	0.066	0.4393	0.9815
Schistosoma mansoni	nephrin	0.0064	0.0308	0.0586
Schistosoma mansoni	cell adhesion molecule	0.0029	0.0067	0.0099
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0032	0.0057
Echinococcus multilocularis	neuroglian	0.0065	0.0318	0.0674
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1479	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0035

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 4.6 uM	Cytotoxicity against human HEK293 cells after 2 days by alamar blue assay	ChEMBL.	22093761
IC50 (functional)	= 68.6 uM	Cytotoxicity against human HepG2 cells after 2 days by alamar blue assay	ChEMBL.	22093761
IC50 (functional)	> 100 uM	Cytotoxicity against human SGC7901 cells after 2 days by alamar blue assay	ChEMBL.	22093761

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	22093761

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: CHEMBL1927334

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1566741