TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.453 | Formula: C25H21N3O3
H donors: 0 H acceptors: 4 LogP: 3.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(=O)cc(n(c1c1ccccn1)Cc1ccc(cc1)C)c1ccccn1
InChi: 1S/C25H21N3O3/c1-17-9-11-18(12-10-17)16-28-21(19-7-3-5-13-26-19)15-22(29)23(25(30)31-2)24(28)20-8-4-6-14-27-20/h3-15H,16H2,1-2H3
InChiKey: PECTUIOIJBJALN-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	conserved hypothetical protein	0.0043	0.0598	0.1028
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.2743	0.8915
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0053	0.005
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0018	0.0096	0.0424
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0032	0.0383	0.0402
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0081	0.1363	0.1344
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0032	0.0383	0.4201
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Onchocerca volvulus		0.0053	0.0801	0.079
Echinococcus granulosus	chromobox protein 1	0.0076	0.1275	0.1256
Echinococcus multilocularis	lamin dm0	0.003	0.033	0.0309
Mycobacterium ulcerans	6-phosphofructokinase	0.0119	0.2139	1
Plasmodium falciparum	thioredoxin reductase	0.0052	0.078	1
Trichomonas vaginalis	set domain proteins, putative	0.026	0.4975	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0257	0.4911	0.5148
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.212	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0394	0.0408
Echinococcus granulosus	neuropeptide receptor A26	0.0509	1	1
Leishmania major	trypanothione reductase	0.0052	0.078	0.3629
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0075
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Toxoplasma gondii	6-phosphofructokinase	0.0032	0.0383	0.2928
Echinococcus multilocularis	neuropeptide receptor A26	0.0509	1	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0029	0.031	0.1425
Brugia malayi	Thioredoxin reductase	0.0052	0.078	0.0818
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0394	0.0373
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.078	1
Plasmodium vivax	flap endonuclease 1, putative	0.0029	0.031	0.3125
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0138	0.2519	0.2503
Plasmodium vivax	6-phosphofructokinase, putative	0.0032	0.0383	0.4201
Echinococcus granulosus	Ankyrin	0.0016	0.0054	0.0033
Brugia malayi	Uncoordinated protein 44	0.0016	0.0052	0.0054
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0663	0.0645
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0006	0.0006
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0032	0.0383	0.4201
Schistosoma mansoni	hypothetical protein	0.0053	0.0801	0.2482
Loa Loa (eye worm)	hypothetical protein	0.003	0.033	0.0341
Loa Loa (eye worm)	flap endonuclease-1	0.0029	0.031	0.0319
Schistosoma mansoni	hypothetical protein	0.0138	0.2519	0.8174
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.078	0.3629
Onchocerca volvulus		0.0045	0.0646	0.0627
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0424
Echinococcus multilocularis	neuropeptide s receptor	0.0509	1	1
Schistosoma mansoni	chromobox protein	0.0076	0.1275	0.4053
Echinococcus multilocularis	6 phosphofructokinase	0.0119	0.2139	0.2122
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.2386	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.2139	1
Loa Loa (eye worm)	intermediate filament protein	0.003	0.033	0.0341
Echinococcus multilocularis	survival motor neuron protein 1	0.0259	0.4966	0.4955
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0598	0.0621
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0075
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0016	0.0054	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0052	0.0048
Brugia malayi	Death domain containing protein	0.0016	0.0052	0.0054
Echinococcus granulosus	death domain containing protein	0.0016	0.0052	0.003
Onchocerca volvulus		0.003	0.033	0.0294
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.212	0.8837
Echinococcus multilocularis	Ankyrin	0.0016	0.0054	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0319	0.0329
Brugia malayi	Pre-SET motif family protein	0.0228	0.4338	0.4551
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0016	0.0052	0.003
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0018	0.0096	0.0424
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.1077	0.3397
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0022	0.0017
Echinococcus multilocularis	netrin receptor unc 5	0.0016	0.0052	0.003
Brugia malayi	hypothetical protein	0.0259	0.4966	0.5209
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0345	0.0511
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0032	0.0383	0.0589
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.2139	0.4187
Echinococcus granulosus	chromobox protein 1	0.0076	0.1275	0.1256
Echinococcus multilocularis	chromobox protein 1	0.0076	0.1275	0.1256
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0411	0.0425
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.078	0.076
Loa Loa (eye worm)	phosphofructokinase	0.0119	0.2139	0.2239
Brugia malayi	Pre-SET motif family protein	0.0033	0.0394	0.0413
Schistosoma mansoni	lozenge	0.0061	0.0963	0.3019
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0598	0.0576
Schistosoma mansoni	aldehyde dehydrogenase	0.0067	0.1077	0.3397
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0147
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0032	0.0383	0.1406
Echinococcus granulosus	lamin	0.003	0.033	0.0309
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0096	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.2743	0.8915
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0345	0.0511
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0081	0.1363	0.1344
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0067	0.1077	0.1058
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0018	0.0096	0.0424
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0018	0.0096	0.0424
Trypanosoma brucei	trypanothione reductase	0.0052	0.078	0.3629
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.033	0.0347
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.2139	0.6914
Toxoplasma gondii	aldehyde dehydrogenase	0.0067	0.1077	1
Brugia malayi	Flap endonuclease-1	0.0029	0.031	0.0325
Plasmodium vivax	6-phosphofructokinase, putative	0.0032	0.0383	0.4201
Schistosoma mansoni	chromobox protein	0.0076	0.1275	0.4053
Brugia malayi	6-phosphofructokinase	0.0119	0.2139	0.2243
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0096	0.5
Schistosoma mansoni	intermediate filament proteins	0.003	0.033	0.0923
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0394	0.0373
Plasmodium vivax	SET domain protein, putative	0.0033	0.0394	0.4358
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0119	0.2139	0.8918
Brugia malayi	SET domain containing protein	0.0014	0.001	0.0011
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.212	0.8837
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0801	0.2482
Echinococcus granulosus	survival motor neuron protein 1	0.0259	0.4966	0.4955
Schistosoma mansoni	ankyrin 23/unc44	0.0016	0.0052	0.00000015276
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0029	0.031	0.1425
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0394	0.1134
Schistosoma mansoni	flap endonuclease-1	0.0026	0.0255	0.0672
Loa Loa (eye worm)	hypothetical protein	0.0486	0.9534	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0052	0.0054
Brugia malayi	Protein kinase domain containing protein	0.0016	0.0052	0.0054
Echinococcus granulosus	netrin receptor unc 5	0.0016	0.0052	0.003
Toxoplasma gondii	thioredoxin reductase	0.0052	0.078	0.697
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0119	0.2139	1
Brugia malayi	6-phosphofructokinase	0.0119	0.2139	0.2243
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0394	0.1134
Plasmodium falciparum	flap endonuclease 1	0.0029	0.031	0.3125
Trypanosoma cruzi	trypanothione reductase, putative	0.0018	0.0096	0.0424
Brugia malayi	chromobox protein homolog 3	0.0043	0.0598	0.0627
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.2139	0.4187
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0598	0.1028
Plasmodium vivax	glutathione reductase, putative	0.0052	0.078	1
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0032	0.0383	0.2928
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.078	0.0812
Brugia malayi	intermediate filament protein	0.003	0.033	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0005
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.037	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0054	0.0051
Onchocerca volvulus		0.0486	0.9534	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0016	0.0052	0.0048
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0045	0.0646	0.197
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.1275	0.2417
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.2386	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0119	0.2139	1
Plasmodium falciparum	glutathione reductase	0.0052	0.078	1
Brugia malayi	hypothetical protein	0.0486	0.9534	1
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.2139	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.2386	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0053	0.0056
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0394	0.0373
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0067	0.1077	0.5023
Echinococcus granulosus	flap endonuclease 1	0.0029	0.031	0.0289
Echinococcus granulosus	6 phosphofructokinase	0.0119	0.2139	0.2122
Onchocerca volvulus		0.003	0.033	0.0294
Echinococcus multilocularis	flap endonuclease 1	0.0029	0.031	0.0289
Brugia malayi	phosphofructokinase	0.0119	0.2139	0.2243
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0228	0.4338	0.4547
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0394	0.3037
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0424
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0067	0.1077	0.1058
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.212	0.8837
Trichomonas vaginalis	flap endonuclease-1, putative	0.0029	0.031	0.0438
Toxoplasma gondii	phosphofructokinase PFKII	0.0032	0.0383	0.2928
Loa Loa (eye worm)	runx1	0.0061	0.0963	0.1005
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.2743	0.2727
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0663	0.1163
Leishmania major	ATP-dependent phosphofructokinase	0.0119	0.2139	1
Brugia malayi	Heterochromatin protein 1	0.0076	0.1275	0.1338
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0029	0.031	0.2178
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0018	0.0096	0.0424
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.2139	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.212	0.8837
Echinococcus multilocularis	chromobox protein 1	0.0076	0.1275	0.1256
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0006	0.0006
Echinococcus multilocularis	lamin	0.003	0.033	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0259	0.4966	0.5206
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0096	0.0424
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.033	0.0341
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.2139	0.2239
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0029	0.031	0.1425
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.078	0.076
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0032	0.0383	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0138	0.2519	0.2503
Giardia lamblia	Flap structure-specific endonuclease	0.0029	0.031	0.7439
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.2139	0.4187
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0067	0.1077	0.4283
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1077	0.5023
Loa Loa (eye worm)	6-phosphofructokinase	0.0119	0.2139	0.2239
Echinococcus granulosus	intermediate filament protein	0.003	0.033	0.0309
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0096	0.0424
Echinococcus granulosus	lamin dm0	0.003	0.033	0.0309
Onchocerca volvulus		0.026	0.4977	0.5195
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0018	0.0096	0.0101
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0096	0.0424
Schistosoma mansoni	lamin	0.003	0.033	0.0923
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1077	0.5023
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0067	0.1077	0.5023
Loa Loa (eye worm)	hypothetical protein	0.0486	0.9534	1
Brugia malayi	follicle stimulating hormone receptor	0.0257	0.4911	0.5151
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0032	0.0383	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0016	0.0052	0.003
Echinococcus multilocularis	musashi	0.003	0.033	0.0309
Entamoeba histolytica	phosphofructokinase, putative	0.0119	0.2139	1
Onchocerca volvulus		0.0034	0.0411	0.0379
Loa Loa (eye worm)	heterochromatin protein 1	0.0076	0.1275	0.1332
Loa Loa (eye worm)	glutathione reductase	0.0052	0.078	0.0812
Mycobacterium tuberculosis	Probable reductase	0.0118	0.212	0.8837
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0096	0.0424
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.2386	1
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0018	0.0096	0.0424
Brugia malayi	glutathione reductase	0.0052	0.078	0.0818
Schistosoma mansoni	lamin	0.003	0.033	0.0923
Trichomonas vaginalis	chromobox protein, putative	0.0076	0.1275	0.2417
Echinococcus multilocularis	Protein lozenge	0.0061	0.0963	0.0943
Trichomonas vaginalis	phosphofructokinase, putative	0.0032	0.0383	0.0589
Trichomonas vaginalis	chromobox protein, putative	0.0046	0.0663	0.1163
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0119	0.2139	0.0695
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.078	0.2985
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0032	0.0383	1
Schistosoma mansoni	6-phosphofructokinase	0.0119	0.2139	0.6914
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0011	0.0005
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0801	0.084
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0394	0.1134
Trichomonas vaginalis	phosphofructokinase, putative	0.0119	0.2139	0.4187

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Antibacterial activity against Staphylococcus aureus assessed as inhibition of biofilm formation	ChEMBL.	18159921
ED50 (functional)		Antitrypanosomal activity against Trypanosoma brucei brucei TC221	ChEMBL.	18159921
ED50 (functional)		Antileishmanial activity against Leishmania major MHOM/IL/81/FE/BNI infected in BALB/c mouse	ChEMBL.	18159921
ED50 (functional)	0	Antitrypanosomal activity against Trypanosoma brucei brucei TC221	ChEMBL.	18159921
ED50 (functional)	0	Antileishmanial activity against Leishmania major MHOM/IL/81/FE/BNI infected in BALB/c mouse	ChEMBL.	18159921
ED50 (ADMET)	0	Cytotoxicity against mouse J774.1 cells after 48 hrs	ChEMBL.	18159921
IC50 (functional)	= 9.1 uM	Antiplasmoidal activity against Plasmodium falciparum NF54 after 24 hrs	ChEMBL.	18159921
IC50 (functional)	= 9.1 uM	Antiplasmoidal activity against Plasmodium falciparum NF54 after 24 hrs	ChEMBL.	18159921
IC50 (functional)	= 40 uM	Antiplasmoidal activity against Plasmodium falciparum NF54 after 48 hrs	ChEMBL.	18159921
IC50 (functional)	= 40 uM	Antiplasmoidal activity against Plasmodium falciparum NF54 after 48 hrs	ChEMBL.	18159921

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	18159921

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: CHEMBL398522

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 503288