TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 535.636 | Formula: C32H33N5O3
H donors: 5 H acceptors: 3 LogP: 4.11 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: O=C(NC(C(=O)NC(C(=O)NCCc1ccccc1)Cc1c[nH]c2c1cccc2)C)Cc1cc2c([nH]1)cccc2
InChi: 1S/C32H33N5O3/c1-21(35-30(38)19-25-17-23-11-5-7-13-27(23)36-25)31(39)37-29(18-24-20-34-28-14-8-6-12-26(24)28)32(40)33-16-15-22-9-3-2-4-10-22/h2-14,17,20-21,29,34,36H,15-16,18-19H2,1H3,(H,33,40)(H,35,38)(H,37,39)
InChiKey: ISILZFKHIMGFCX-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
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0056	0.0819	0.0819
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.041	0.0437
Entamoeba histolytica	protein kinase, putative	0.0033	0.041	0.2386
Onchocerca volvulus		0.0105	0.1705	1
Entamoeba histolytica	protein kinase domain containing protein	0.0056	0.0819	0.4789
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.041	0.0437
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.041	0.0406
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0018	0.5
Schistosoma mansoni	cysteine synthase	0.001	0.0004	0.0004
Plasmodium falciparum	proline--tRNA ligase	0.0036	0.0464	0.0508
Brugia malayi	major facilitator superfamily protein	0.0014	0.0081	0.0081
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.041	0.2386
Entamoeba histolytica	protein kinase domain containing protein	0.0105	0.1705	1
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Echinococcus granulosus	dual specificity	0.0056	0.0819	0.4397
Leishmania major	glucose transporter, lmgt1	0.0032	0.0391	0.2277
Brugia malayi	hypothetical protein	0.0014	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0239	0.0239
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0134	0.542
Onchocerca volvulus		0.0019	0.0164	0.0965
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0105	0.1705	0.1705
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	myo-inositol transporter, putative	0.0014	0.0081	0.0077
Brugia malayi	lysyl-tRNA synthetase	0.0023	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Schistosoma mansoni	cysteine synthase	0.001	0.0004	0.0004
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0014	0.0081	0.0077
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0134	0.007
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.041	0.041
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.041	0.2201
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0031	0.0373	0.0369
Trichomonas vaginalis	conserved hypothetical protein	0.0102	0.1653	0.165
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.1705	0.1702
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0105	0.1705	1
Schistosoma mansoni	sugar transporter	0.0014	0.0081	0.0081
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Schistosoma mansoni	glucose transport protein	0.0102	0.1653	0.1653
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0436	0.7613	1
Schistosoma mansoni	protein kinase	0.0033	0.041	0.041
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Onchocerca volvulus		0.0014	0.0081	0.0475
Giardia lamblia	Lysyl-tRNA synthetase	0.0023	0.0232	0.093
Trypanosoma cruzi	hexose transporter, putative	0.0017	0.0134	0.0765
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0134	0.5537
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0164	0.0884
Giardia lamblia	Prolyl-tRNA synthetase	0.0031	0.0373	0.1795
Leishmania major	protein kinase, putative	0.0033	0.041	0.2386
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Echinococcus granulosus	solute carrier family 22	0.0014	0.0081	0.0435
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0031	0.0373	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0164	0.0164
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0014	0.0081	0.5
Echinococcus granulosus	dual specificity	0.0056	0.0819	0.4397
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0114	0.1862	1
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Toxoplasma gondii	sugar transporter ST1	0.0014	0.0081	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0373	0.0373
Echinococcus multilocularis	dual specificity	0.0056	0.0819	0.4397
Loa Loa (eye worm)	cbs-prov protein	0.001	0.0004	0.0004
Schistosoma mansoni	protein kinase	0.0033	0.041	0.041
Schistosoma mansoni	hypothetical protein	0.0019	0.0164	0.0164
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0056	0.0819	0.4789
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0239	1
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0391	0.0388
Schistosoma mansoni	lipoxygenase	0.0114	0.1862	0.1862
Leishmania major	glucose transporter, lmgt3	0.0032	0.0391	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0105	0.1705	0.2156
Trypanosoma cruzi	hexose transporter	0.0032	0.0391	0.2277
Onchocerca volvulus		0.0014	0.0081	0.0475
Schistosoma mansoni	rab6-interacting	0.0019	0.0164	0.0164
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0239	0.1381
Leishmania major	myo-inositol/proton symporter (MIT)	0.0014	0.0081	0.0454
Trypanosoma cruzi	hexose transporter, putative	0.0014	0.0081	0.0454
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0056	0.0819	0.4789
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0114	0.1862	1
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.041	0.0437
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0117	0.4817
Plasmodium vivax	hexose transporter	0.0102	0.1653	0.2087
Mycobacterium ulcerans	glutaminase	0.057	1	1
Toxoplasma gondii	protein kinase, putative	0.0291	0.5018	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	sugar transporter	0.0102	0.1653	0.1653
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0239	0.0235
Brugia malayi	hypothetical protein	0.0014	0.0081	0.0081
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0232	0.0228
Plasmodium falciparum	protein kinase 7	0.0291	0.5018	0.6554
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.1705	0.1702
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Schistosoma mansoni	glucose transport protein	0.0102	0.1653	0.1653
Echinococcus granulosus	dual specificity	0.0056	0.0819	0.4397
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0239	1
Echinococcus multilocularis	protein kinase shaggy	0.0105	0.1705	0.916
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0081	0.0081
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Toxoplasma gondii	sugar transporter ST2	0.0014	0.0081	0.0154
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.041	0.0437
Toxoplasma gondii	sugar transporter ST3	0.0014	0.0081	0.0154
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0164	0.0111
Toxoplasma gondii	lysine-tRNA ligase	0.0023	0.0232	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0239	0.1381
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Echinococcus multilocularis	dual specificity	0.0056	0.0819	0.4397
Echinococcus granulosus	synaptic vesicle 2 protein	0.0014	0.0081	0.0435
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0031	0.0373	0.2168
Trichomonas vaginalis	glucose transporter, putative	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0014	0.0081	0.0081
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0373	0.0373
Brugia malayi	hypothetical protein	0.0019	0.0164	0.0164
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0105	0.1705	0.3394
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0819	0.0819
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0464	0.2702
Plasmodium vivax	lysine--tRNA ligase, putative	0.0023	0.0232	0.0201
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0239	0.0239
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0391	0.2277
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0164	0.0884
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0391	0.2277
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0081	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0033	0.041	0.041
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0081	0.0435
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.041	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0239	0.0239
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0391	0.2277
Brugia malayi	Cam kinase protein 1	0.0033	0.041	0.041
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0117	0.4817
Schistosoma mansoni	loxhd1	0.0019	0.0164	0.0164
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.041	0.081
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0081	0.0077
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0391	0.2277
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Brugia malayi	major facilitator superfamily protein	0.0014	0.0081	0.0081
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0391	0.0388
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0391	0.0388
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Mycobacterium ulcerans	integral membrane transport protein	0.0014	0.0081	0.0077
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Brugia malayi	hypothetical protein	0.0014	0.0081	0.0081
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0081	0.0081
Onchocerca volvulus		0.0014	0.0081	0.0475
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0239	0.0239
Schistosoma mansoni	sugar transporter	0.0014	0.0081	0.0081
Onchocerca volvulus	Putative transporter	0.0014	0.0081	0.0475
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0171	0.7098
Schistosoma mansoni	glucose transporter	0.0014	0.0081	0.0081
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0239	0.1381
Echinococcus multilocularis	General substrate transporter	0.0088	0.1396	0.7498
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0164	0.0111
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0102	0.1653	0.8879
Leishmania major	lysyl-tRNA synthetase, putative	0.0023	0.0232	0.1342
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.041	0.041
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Brugia malayi	intracellular kinase	0.0105	0.1705	0.1705
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0014	0.0081	0.0435
Echinococcus granulosus	calcium dependent protein kinase	0.0029	0.0349	0.1876
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0239	0.0235
Brugia malayi	Doublecortin family protein	0.0019	0.0164	0.0164
Plasmodium vivax	proline--tRNA ligase, putative	0.0036	0.0464	0.0508
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0373	0.2001
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0391	0.0388
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.002	0.0182	0.0178
Entamoeba histolytica	protein kinase, putative	0.0056	0.0819	0.4789
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0056	0.0819	0.1625
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0239	0.1381
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.041	0.081
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0134	0.0134
Onchocerca volvulus		0.0014	0.0081	0.0475
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0117	0.4817
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0023	0.0232	0.1342
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0239	0.0235
Brugia malayi	Sugar transporter family protein	0.0102	0.1653	0.1653
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.041	0.081
Echinococcus granulosus	solute carrier family 22	0.0014	0.0081	0.0435
Entamoeba histolytica	protein kinase, putative	0.0105	0.1705	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0164	0.0164
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0014	0.0081	0.0077
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0391	0.2277
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Schistosoma mansoni	sugar transporter	0.0014	0.0081	0.0081
Leishmania major	hypothetical protein, conserved	0.0014	0.0081	0.0454
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0391	0.0388
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0014	0.0081	0.0454
Schistosoma mansoni	glucose transport protein	0.0102	0.1653	0.1653
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0105	0.1705	0.916
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0031	0.0373	0.2001
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Onchocerca volvulus		0.0019	0.0164	0.0965
Entamoeba histolytica	hypothetical protein	0.0023	0.0232	0.1342
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0014	0.0081	0.0435
Onchocerca volvulus		0.0014	0.0081	0.0475
Trypanosoma brucei	protein kinase, putative	0.0105	0.1705	1
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.041	0.0437
Brugia malayi	Major Facilitator Superfamily protein	0.0014	0.0081	0.0081
Brugia malayi	cbs-prov protein	0.001	0.0004	0.0004
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0239	0.0235
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Echinococcus granulosus	solute carrier family 22	0.0014	0.0081	0.0435
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0019	0.0171	0.7098
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0464	0.2702
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0102	0.1653	0.8879
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0081	0.0077
Loa Loa (eye worm)	glutaminase	0.057	1	1
Leishmania major	glucose transporter, lmgt2	0.0032	0.0391	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Echinococcus granulosus	protein kinase shaggy	0.0105	0.1705	0.916
Onchocerca volvulus		0.0014	0.0081	0.0475
Brugia malayi	Sugar transporter family protein	0.0014	0.0081	0.0081
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0164	0.0884
Giardia lamblia	Kinase, CMGC DYRK	0.0056	0.0819	0.4541
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Onchocerca volvulus		0.0014	0.0081	0.0475
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0117	0.4817
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0391	0.2277
Echinococcus granulosus	lysyl tRNA synthetase	0.0023	0.0232	0.1247
Schistosoma mansoni	hypothetical protein	0.0102	0.1653	0.1653
Trichomonas vaginalis	glutaminase, putative	0.057	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0036	0.0464	0.0917
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Trypanosoma cruzi	glucose transporter, putative	0.0014	0.0081	0.0454
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Brugia malayi	Pyridoxal-phosphate dependent enzyme family protein	0.001	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0239	0.0239
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0081	0.0435
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	sugar transporter, putative	0.0032	0.0391	0.0388
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0239	0.0235
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0031	0.0373	0.0373
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0018	0.0014
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0239	0.6372
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0105	0.1705	0.1705
Trypanosoma brucei	sugar transporter, putative	0.0014	0.0081	0.0454
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0239	0.1381
Toxoplasma gondii	transporter, major facilitator family protein	0.0014	0.0081	0.0154
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0819	0.0815
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0105	0.1705	0.916
Echinococcus multilocularis	solute carrier family 22	0.0014	0.0081	0.0435
Loa Loa (eye worm)	glutaminase 2	0.057	1	1
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.041	0.0437
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0167	0.2805	0.5588
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0232	0.0228
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0031	0.0373	0.0373
Echinococcus multilocularis	calcium dependent protein kinase	0.0029	0.0349	0.1876
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Giardia lamblia	Kinase, CMGC GSK	0.0105	0.1705	1
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0014	0.0081	0.3288
Toxoplasma gondii	facilitative glucose transporter GT1	0.0102	0.1653	0.3289
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0239	0.0239
Plasmodium falciparum	hexose transporter	0.0102	0.1653	0.2087
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0391	0.2277
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0232	0.0232
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0056	0.0819	0.0819
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0081	0.0077
Onchocerca volvulus		0.0023	0.0239	0.14
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0081	0.0077
Loa Loa (eye worm)	sugar transporter	0.0014	0.0081	0.0081
Echinococcus granulosus	RUN	0.0019	0.0164	0.0884
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Echinococcus multilocularis	lysyl tRNA synthetase	0.0023	0.0232	0.1247
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0081	0.0081
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0014	0.0081	0.3288
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.041	0.041
Schistosoma mansoni	protein kinase	0.0033	0.041	0.041
Trichomonas vaginalis	glucose transporter, putative	0.0032	0.0391	0.0388
Echinococcus multilocularis	dual specificity	0.0056	0.0819	0.4397
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0239	0.1381
Plasmodium falciparum	lysine--tRNA ligase	0.0023	0.0232	0.0201
Schistosoma mansoni	polycystin 1-related	0.0019	0.0164	0.0164
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0164	0.0884
Entamoeba histolytica	protein kinase, putative	0.0033	0.041	0.2386
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0464	0.2702
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.041	0.2201
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0014	0.0081	0.0435
Chlamydia trachomatis	lysine--tRNA ligase	0.0023	0.0232	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0239	0.0235
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0036	0.0464	0.2702
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0239	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0134	0.0134
Onchocerca volvulus		0.0014	0.0081	0.0475
Onchocerca volvulus		0.0014	0.0081	0.0475
Entamoeba histolytica	protein kinase domain containing protein	0.0105	0.1705	1
Echinococcus multilocularis	RUN	0.0019	0.0164	0.0884
Schistosoma mansoni	lysyl-tRNA synthetase	0.0023	0.0232	0.0232
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.041	0.0437
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Plasmodium falciparum	glycogen synthase kinase 3	0.0105	0.1705	0.2156
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0391	0.2277
Schistosoma mansoni	rab6-interacting	0.0019	0.0164	0.0164
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0014	0.0081	0.0081
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0164	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0373	0.0373
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0031	0.0373	0.0373
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0239	0.6372
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Plasmodium falciparum	protein kinase 6	0.0436	0.7613	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0164	0.0884
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0391	0.2277
Loa Loa (eye worm)	hypothetical protein	0.0025	0.027	0.027
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0056	0.0819	0.4789
Onchocerca volvulus		0.0014	0.0081	0.0475
Trichomonas vaginalis	sugar transport protein, putative	0.0014	0.0081	0.0077
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0036	0.0464	0.2702
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Schistosoma mansoni	sugar transporter	0.0014	0.0081	0.0081
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.041	0.041
Schistosoma mansoni	lipoxygenase	0.008	0.1248	0.1248
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0134	0.0134
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.0049	0.0049
Trichomonas vaginalis	sugar transporter, putative	0.0014	0.0081	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0232	0.0232
Trypanosoma cruzi	sugar transporter, putative	0.0014	0.0081	0.0454
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0105	0.1705	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0134	0.0134
Onchocerca volvulus		0.0014	0.0081	0.0475
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0167	0.2805	0.3617
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0134	0.007
Brugia malayi	hypothetical protein	0.0019	0.0164	0.0164
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0019	0.0171	0.4523
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0023	0.0232	0.0228
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0105	0.1705	0.1705
Schistosoma mansoni	glutaminase	0.057	1	1
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0023	0.0232	0.1342
Giardia lamblia	Kinase, CMGC GSK	0.0105	0.1705	1
Echinococcus granulosus	General substrate transporter	0.0088	0.1396	0.7498
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0239	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0081	0.0081
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0167	0.2805	0.3617
Mycobacterium ulcerans	sugar transporter	0.0014	0.0081	0.0077
Brugia malayi	Sugar transporter family protein	0.0014	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0134	0.0134
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0023	0.0232	0.6191
Echinococcus granulosus	solute carrier family 22	0.0014	0.0081	0.0435
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0134	0.013
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.041	0.0437
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0391	0.2277

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 3.61	Calculated partition coefficient (clogP)	ChEMBL.	12723954
EC50 (functional)	= 79 nM	Effective concentration required against human bombesin receptor 3 (BRS-3) in CHO cells by using FLIPR assay.	ChEMBL.	12723954
Emax (binding)	= 69	Emax	ChEMBL.	12723954
NA (functional)	0	Effective concentration required against nueromedin B receptor (NMB-R) in CHO cells by using FLIPR assay.	ChEMBL.	12723954
NA (functional)	0	Effective concentration required against gastrin releasing peptide receptor (GRP-R) in CHO cells by using FLIPR assay.	ChEMBL.	12723954

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: 188975

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 85134