TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.39 | Formula: C19H22N2O2
H donors: 2 H acceptors: 2 LogP: 4.51 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)/C=N/NC(=O)c1ccc(cc1)C(C)(C)C)O
InChi: 1S/C19H22N2O2/c1-13-5-10-17(22)15(11-13)12-20-21-18(23)14-6-8-16(9-7-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-12+
InChiKey: OOJNXBOWMQXOFJ-UDWIEESQSA-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
Loa Loa (eye worm)	dihydrofolate reductase	0.215781	0.599557	1
Brugia malayi	hypothetical protein	0.0039628	0.00493061	0.00822376
Echinococcus multilocularis	tyrosine protein kinase otk	0.00230392	0.000273749	0.000273749
Echinococcus granulosus	Immunoglobulin	0.0039628	0.00493061	0.00493061
Echinococcus multilocularis	neuroglian	0.00497482	0.0077716	0.0077716
Schistosoma mansoni	dipeptidyl-peptidase 9 (S09 family)	0.0194251	0.0483371	0.0667544
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0039653	0.00493764	0.0103231
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.172591	0.47831	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.00783316	0.0157957	0.0330239
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Schistosoma mansoni	nephrin	0.00497482	0.0077716	0.0107327
Echinococcus granulosus	roundabout 2	0.00626672	0.0113983	0.0113983
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.00783316	0.0157957	0.0330239
Plasmodium falciparum	protoporphyrinogen oxidase	0.00720359	0.0140283	0.0293289
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0213135	0.0536384	0.596578
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.00606166	0.0108226	0.0226268
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Onchocerca volvulus		0.0023405	0.000376445	0.0019224
Brugia malayi	thymidylate synthase	0.0719619	0.195821	0.326609
Toxoplasma gondii	dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein	0.0103573	0.0228815	0.0478382
Echinococcus multilocularis	roundabout 2	0.00626672	0.0113983	0.0113983
Plasmodium falciparum	DNA topoisomerase 2	0.00471507	0.00704244	0.0147236
Brugia malayi	Prion-like-	0.00230392	0.000273749	0.000456585
Schistosoma mansoni	cell adhesion molecule	0.00230392	0.000273749	0.000378052
Loa Loa (eye worm)	phosphatidylinositol 3	0.00670035	0.0126156	0.0210415
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.00498434	0.00779834	0.016304
Echinococcus granulosus	roundabout 2	0.00230392	0.000273749	0.000273749
Loa Loa (eye worm)	hypothetical protein	0.0023405	0.000376445	0.000627872
Schistosoma mansoni	tyrosine kinase	0.00271362	0.00142387	0.00196639
Loa Loa (eye worm)	hypothetical protein	0.0134804	0.0316488	0.0527869
Trypanosoma cruzi	2OG-Fe(II) oxygenase superfamily, putative	0.0023405	0.000376445	0.000787031
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.00230392	0.000273749	0.000456585
Brugia malayi	hypothetical protein	0.0342343	0.0899101	0.149961
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.00230392	0.000273749	0.00139796
Schistosoma mansoni	dihydrofolate reductase	0.215781	0.599557	0.827998
Leishmania major	phosphatidylinositol 3-kinase, putative	0.00498434	0.00779834	0.016304
Leishmania major	UDP-galactopyranose mutase	0.00720359	0.0140283	0.0293289
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.00498434	0.00779834	0.00779834
Trichomonas vaginalis	DNA topoisomerase II, putative	0.00471507	0.00704244	0.0783275
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0213135	0.0536384	0.596578
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.00783316	0.0157957	0.175683
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.215781	0.599557	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.172591	0.47831	1
Echinococcus granulosus	hemicentin 1	0.00230392	0.000273749	0.000273749
Loa Loa (eye worm)	hypothetical protein	0.0122013	0.0280582	0.0467982
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0195284	0.0486271	1
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Brugia malayi	SWIRM domain containing protein	0.00720359	0.0140283	0.0233978
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.00471507	0.00704244	0.00704244
Mycobacterium ulcerans	DNA gyrase subunit B	0.0104878	0.0232477	0.0387749
Schistosoma mansoni	hypothetical protein	0.260148	0.724104	1
Echinococcus granulosus	lysine specific histone demethylase 1A	0.00720359	0.0140283	0.0140283
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.00935253	0.0200609	0.30441
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.00498434	0.00779834	0.0867349
Trypanosoma cruzi	UDP-galactopyranose mutase	0.00720359	0.0140283	0.0293289
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0039653	0.00493764	0.0103231
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0039628	0.00493061	0.00493061
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0039653	0.00493764	0.0103231
Brugia malayi	amine oxidase, flavin-containing family protein	0.00720359	0.0140283	0.0233978
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.00845217	0.0175334	0.0292439
Echinococcus multilocularis	hedgehog	0.358428	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.00783316	0.0157957	0.175683
Plasmodium vivax	DNA gyrase subunit B, putative	0.0104878	0.0232477	0.0486039
Echinococcus granulosus	tyrosine protein kinase otk	0.00230392	0.000273749	0.000273749
Loa Loa (eye worm)	hypothetical protein	0.09828	0.269702	0.449835
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.00498434	0.00779834	0.0867349
Entamoeba histolytica	DNA topoisomerase II, putative	0.00471507	0.00704244	0.106864
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.215781	0.599557	1
Brugia malayi	Hint module family protein	0.09828	0.269702	0.449835
Plasmodium vivax	hypothetical protein, conserved	0.00720359	0.0140283	0.0293289
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.00398162	0.00498346	0.109188
Loa Loa (eye worm)	hypothetical protein	0.0039628	0.00493061	0.00822376
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.00471507	0.00704244	0.0359637
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0256817	0.0659009	0.137779
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.00471507	0.00704244	0.0359637
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.00230392	0.000273749	0.000273749
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0052547	0.00855729	0.00855729
Trypanosoma brucei	Dipeptidyl-peptidase 8-like, putative	0.0194251	0.0483371	0.101058
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.00720359	0.0140283	0.0233978
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0644459	0.174721	0.291417
Chlamydia trachomatis	dihydrofolate reductase	0.215781	0.599557	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.00720359	0.0140283	0.0293289
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.00471507	0.00704244	0.0117461
Echinococcus multilocularis	protoporphyrinogen oxidase	0.00720359	0.0140283	0.0140283
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0195284	0.0486271	0.0811051
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0644459	0.174721	0.291417
Echinococcus multilocularis	neuroglian	0.00230392	0.000273749	0.000273749
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.00720359	0.0140283	0.0193733
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.215781	0.599557	1
Brugia malayi	prolyl oligopeptidase family protein	0.0194251	0.0483371	0.0806214
Loa Loa (eye worm)	hypothetical protein	0.00626672	0.0113983	0.0190112
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.00498434	0.00779834	0.016304
Echinococcus granulosus	neuroglian	0.00497482	0.0077716	0.0077716
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.00670035	0.0126156	0.0263754
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.00361076	0.00394236	0.00657545
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.00230392	0.000273749	0.000273749
Loa Loa (eye worm)	prolyl 4-hydroxylase 2	0.0023405	0.000376445	0.000627872
Schistosoma mansoni	nephrin	0.00230392	0.000273749	0.000378052
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.00230392	0.000273749	0.000273749
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.00720359	0.0140283	0.0140283
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.00471507	0.00704244	0.00704244
Loa Loa (eye worm)	hypothetical protein	0.09828	0.269702	0.449835
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0256817	0.0659009	0.732964
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0173761	0.042585	0.0588106
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0379672	0.100389	0.100389
Toxoplasma gondii	histone lysine-specific demethylase	0.00720359	0.0140283	0.0293289
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0256817	0.0659009	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.00720359	0.0140283	0.0293289
Brugia malayi	hypothetical protein	0.00815088	0.0166876	0.0278332
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.00498434	0.00779834	0.0130068
Toxoplasma gondii	oxidoreductase, 2OG-Fe(II) oxygenase family protein	0.0023405	0.000376445	0.000787031
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.00498434	0.00779834	0.016304
Mycobacterium tuberculosis	Hypothetical protein	0.0342343	0.0899101	0.149961
Plasmodium falciparum	DNA gyrase subunit B	0.0104878	0.0232477	0.0486039
Brugia malayi	Fibronectin type III domain containing protein	0.0039628	0.00493061	0.00822376
Loa Loa (eye worm)	hypothetical protein	0.0039628	0.00493061	0.00822376
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.00783316	0.0157957	0.239688
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.00720359	0.0140283	0.0233978
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.00783316	0.0157957	0.175683
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0122013	0.0280582	0.0467982
Schistosoma mansoni	vesicular amine transporter	0.0039628	0.00493061	0.00680926
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0039628	0.00493061	0.00822376
Echinococcus multilocularis	lachesin	0.00230392	0.000273749	0.000273749
Echinococcus multilocularis	peroxidasin	0.00230392	0.000273749	0.000273749
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0950873	0.260739	0.434886
Trypanosoma brucei	serine peptidase, Clan SC, Family S9B	0.0194251	0.0483371	0.101058
Onchocerca volvulus		0.00720359	0.0140283	0.0716385
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.00498434	0.00779834	0.118334
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0719619	0.195821	0.326609
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0256817	0.0659009	0.732964
Echinococcus multilocularis		0.00720359	0.0140283	0.0140283
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0379672	0.100389	0.100389
Brugia malayi	Probable DNA topoisomerase II	0.00471507	0.00704244	0.0117461
Mycobacterium tuberculosis	Possible oxidoreductase	0.00720359	0.0140283	0.0233978
Schistosoma mansoni	cell adhesion molecule	0.0052547	0.00855729	0.0118178
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.00720359	0.0140283	0.0193733
Echinococcus multilocularis	roundabout 2	0.00230392	0.000273749	0.000273749
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.172591	0.47831	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.00832583	0.0171787	0.0359154
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Brugia malayi	prolyl oligopeptidase family protein	0.0173761	0.042585	0.0710274
Echinococcus granulosus	lachesin	0.00230392	0.000273749	0.000273749
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.00230392	0.000273749	0.000378052
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.00230392	0.000273749	0.000456585
Echinococcus multilocularis	thymidylate synthase	0.0719619	0.195821	0.195821
Chlamydia trachomatis	DNA gyrase subunit B	0.0104878	0.0232477	0.0385148
Echinococcus granulosus	Dipeptidyl peptidase 9	0.0194251	0.0483371	0.0483371
Plasmodium falciparum	DNA gyrase subunit A	0.0195284	0.0486271	0.101664
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0342343	0.0899101	0.187975
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0184647	0.045641	1
Echinococcus granulosus	peroxidasin	0.00230392	0.000273749	0.000273749
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0173761	0.042585	0.042585
Trypanosoma cruzi	dipeptidyl-peptidase 8-like serine peptidase	0.0194251	0.0483371	0.101058
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.00498434	0.00779834	0.016304
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.172591	0.47831	1
Brugia malayi	hypothetical protein	0.00720359	0.0140283	0.0233978
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Toxoplasma gondii	DNA topoisomerase 2, putative	0.00471507	0.00704244	0.0147236
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.00498434	0.00779834	0.00779834
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Leishmania major	hypothetical protein, conserved	0.0023405	0.000376445	0.000787031
Schistosoma mansoni	cell adhesion molecule	0.00230392	0.000273749	0.000378052
Echinococcus granulosus	thymidylate synthase	0.0719619	0.195821	0.195821
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Chlamydia trachomatis	DNA gyrase subunit A	0.0195284	0.0486271	0.0808564
Mycobacterium ulcerans	monoamine oxidase	0.00720359	0.0140283	0.0233978
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.00498434	0.00779834	0.016304
Loa Loa (eye worm)	prolyl oligopeptidase	0.0173761	0.042585	0.0710274
Echinococcus multilocularis	dihydrofolate reductase	0.215781	0.599557	0.599557
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0256817	0.0659009	0.137779
Loa Loa (eye worm)	hypothetical protein	0.0039628	0.00493061	0.00822376
Plasmodium vivax	hypothetical protein, conserved	0.00720359	0.0140283	0.0293289
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.00720359	0.0140283	0.0293289
Loa Loa (eye worm)	hypothetical protein	0.0023405	0.000376445	0.000627872
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Trypanosoma brucei	2OG-Fe(II) oxygenase superfamily, putative	0.0023405	0.000376445	0.000787031
Schistosoma mansoni	roundabout	0.00230392	0.000273749	0.000378052
Schistosoma mansoni	amine oxidase	0.00720359	0.0140283	0.0193733
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.00230392	0.000273749	0.000273749
Schistosoma mansoni	prolyl 4-hydroxylase alpha subunit 1	0.0023405	0.000376445	0.000519877
Loa Loa (eye worm)	TOPoisomerase family member	0.00471507	0.00704244	0.0117461
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Schistosoma mansoni	DNA topoisomerase II	0.00471507	0.00704244	0.00972572
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.102291	0.280962	0.468615
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Onchocerca volvulus	Tyrosine kinase homolog	0.0602032	0.162811	0.831429
Loa Loa (eye worm)	hypothetical protein	0.00542522	0.00903598	0.0150711
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0122013	0.0280582	0.0280582
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.00471507	0.00704244	0.0117461
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0039628	0.00493061	0.00680926
Loa Loa (eye worm)	hypothetical protein	0.00720359	0.0140283	0.0233978
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.00230392	0.000273749	0.000378052
Loa Loa (eye worm)	hypothetical protein	0.0039628	0.00493061	0.00822376
Loa Loa (eye worm)	hypothetical protein	0.00226417	0.000162165	0.000270475
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0245489	0.0627208	0.951745
Echinococcus granulosus	lysine specific histone demethylase 1A	0.00720359	0.0140283	0.0140283
Leishmania major	hypothetical protein, unknown function	0.0023405	0.000376445	0.000787031
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Schistosoma mansoni	cell adhesion molecule	0.00230392	0.000273749	0.000378052
Schistosoma mansoni	neuroglian	0.00230392	0.000273749	0.000378052
Echinococcus granulosus	Desert hedgehog protein	0.358428	1	1
Loa Loa (eye worm)	hypothetical protein	0.00815088	0.0166876	0.0278332
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.102291	0.280962	0.468615
Loa Loa (eye worm)	hypothetical protein	0.0052547	0.00855729	0.0142727
Echinococcus multilocularis	prolyl 4 hydroxylase subunit alpha 1	0.0023405	0.000376445	0.000376445
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.00498434	0.00779834	0.118334
Toxoplasma gondii	hypoxia- inducible factor prolyl hydroxylase (phd2), putative	0.0023405	0.000376445	0.000787031
Mycobacterium ulcerans	DNA gyrase subunit A	0.0195284	0.0486271	0.0811051
Plasmodium vivax	DNA topoisomerase II, putative	0.00471507	0.00704244	0.0147236
Chlamydia trachomatis	protoporphyrinogen oxidase	0.00720359	0.0140283	0.0231335
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0122855	0.0282945	0.0471924
Schistosoma mansoni	septate junction protein	0.00230392	0.000273749	0.000378052
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.00471507	0.00704244	0.0359637
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.00783316	0.0157957	0.239688
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.00720359	0.0140283	0.0293289
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0379672	0.100389	0.138639
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.00498434	0.00779834	0.00779834
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Mycobacterium ulcerans	thymidylate synthase	0.0719619	0.195821	0.326609
Echinococcus granulosus	defective proboscis extension response	0.0039628	0.00493061	0.00493061
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.00498434	0.00779834	0.016304
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0228329	0.0579036	0.878646
Echinococcus multilocularis	Immunoglobulin	0.0039628	0.00493061	0.00493061
Echinococcus multilocularis	roundabout 2	0.00230392	0.000273749	0.000273749
Trichomonas vaginalis	conserved hypothetical protein	0.0342343	0.0899101	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.00230392	0.000273749	0.000456585
Toxoplasma gondii	tetratricopeptide repeat-containing protein	0.0023405	0.000376445	0.000787031
Leishmania major	mitochondrial DNA topoisomerase II	0.00832583	0.0171787	0.0359154
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.00498434	0.00779834	0.0867349
Brugia malayi	Peroxidasin	0.00230392	0.000273749	0.000456585
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0039628	0.00493061	0.00680926
Entamoeba histolytica	hypothetical protein	0.0228329	0.0579036	0.878646
Echinococcus multilocularis	Dipeptidyl peptidase 9	0.0194251	0.0483371	0.0483371
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.00498434	0.00779834	0.016304
Trypanosoma cruzi	serine peptidase, Clan SC, Family S9B	0.0194251	0.0483371	0.101058
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0719619	0.195821	0.326609
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.00498434	0.00779834	0.0107696
Brugia malayi	Hint module family protein	0.09828	0.269702	0.449835
Leishmania major	dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B	0.0194251	0.0483371	0.101058
Echinococcus granulosus	twitchin	0.00497482	0.0077716	0.0077716
Echinococcus granulosus	dihydrofolate reductase	0.215781	0.599557	0.599557
Mycobacterium ulcerans	oxidoreductase	0.00720359	0.0140283	0.0233978
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.172591	0.47831	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.00783316	0.0157957	0.0263455
Echinococcus granulosus	contactin	0.00230392	0.000273749	0.000273749
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0256817	0.0659009	0.732964
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.00720359	0.0140283	0.0293289
Loa Loa (eye worm)	hypothetical protein	0.00226417	0.000162165	0.000270475
Loa Loa (eye worm)	hypothetical protein	0.0039628	0.00493061	0.00822376
Echinococcus granulosus	neuroglian	0.00230392	0.000273749	0.000273749
Trypanosoma brucei	DNA topoisomerase ii	0.00832583	0.0171787	0.0359154
Echinococcus multilocularis	hemicentin 1	0.00230392	0.000273749	0.000273749
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.00498434	0.00779834	0.016304
Schistosoma mansoni	titin	0.00230392	0.000273749	0.000378052
Echinococcus multilocularis	Zinc finger, PHD finger	0.00498434	0.00779834	0.00779834
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.00832583	0.0171787	0.0359154
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0195284	0.0486271	1
Echinococcus multilocularis	Immunoglobulin	0.0039628	0.00493061	0.00493061
Mycobacterium ulcerans	dehydrogenase	0.00720359	0.0140283	0.0233978
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Loa Loa (eye worm)	hypothetical protein	0.0112743	0.0254556	0.0424574
Loa Loa (eye worm)	thymidylate synthase	0.0719619	0.195821	0.326609
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0173761	0.042585	0.042585
Plasmodium vivax	DNA gyrase subunit A, putative	0.0195284	0.0486271	0.101664
Chlamydia trachomatis	DNA gyrase subunit B	0.00687699	0.0131115	0.0216039
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.00230392	0.000273749	0.000273749
Mycobacterium tuberculosis	Conserved hypothetical protein	0.00720359	0.0140283	0.0233978
Onchocerca volvulus		0.0587815	0.15882	0.811048
Giardia lamblia	DNA topoisomerase II	0.00438603	0.00611875	0.134062
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0104878	0.0232477	0.0387749
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.00720359	0.0140283	0.0293289
Loa Loa (eye worm)	phosphatidylinositol 3	0.0351184	0.092392	0.1541
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.00230392	0.000273749	0.000456585
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Echinococcus granulosus	roundabout 2	0.00230392	0.000273749	0.000273749
Echinococcus granulosus	prolyl 4 hydroxylase subunit alpha 1	0.0023405	0.000376445	0.000376445
Loa Loa (eye worm)	hypothetical protein	0.00626672	0.0113983	0.0190112
Brugia malayi	dihydrofolate reductase family protein	0.215781	0.599557	1
Schistosoma mansoni	amine oxidase	0.00720359	0.0140283	0.0193733
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.00230392	0.000273749	0.000273749
Leishmania major	DNA topoisomerase ii	0.0039653	0.00493764	0.0103231
Echinococcus multilocularis	hemicentin 1	0.00230392	0.000273749	0.000273749
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0195284	0.0486271	0.101664
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.00783316	0.0157957	0.0218141
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0719619	0.195821	0.270432
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0039653	0.00493764	0.0103231
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0122013	0.0280582	0.0280582
Brugia malayi	Dihydrofolate reductase	0.215781	0.599557	1
Brugia malayi	prolyl 4-hydroxylase	0.0023405	0.000376445	0.000627872
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.172591	0.47831	1
Onchocerca volvulus		0.0719619	0.195821	1
Trypanosoma cruzi	2OG-Fe(II) oxygenase superfamily, putative	0.0023405	0.000376445	0.000787031
Brugia malayi	Immunoglobulin I-set domain containing protein	0.00230392	0.000273749	0.000456585
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0173761	0.042585	0.217469
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.00498434	0.00779834	0.0130068
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0256817	0.0659009	0.109916
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.00498434	0.00779834	0.0107696
Schistosoma mansoni	septate junction protein	0.00230392	0.000273749	0.000378052
Loa Loa (eye worm)	hypothetical protein	0.00230392	0.000273749	0.000456585
Toxoplasma gondii	oxidoreductase, 2OG-Fe(II) oxygenase family protein	0.0023405	0.000376445	0.000787031

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (functional)	= 16.3 uM	Cytotoxicity against human diploid embryonic lung MRC5 cells by colorimetric MTT assay	ChEMBL.	16263280
CC50 (functional)	= 16.3 uM	Cytotoxicity against human diploid embryonic lung MRC5 cells by colorimetric MTT assay	ChEMBL.	16263280
IC50 (functional)	= 2.2 uM	Antimalarial activity against Plasmodium falciparum CQ-resistant strain FcB1	ChEMBL.	16263280
IC50 (functional)	= 2.2 uM	Antimalarial activity against Plasmodium falciparum CQ-resistant strain FcB1	ChEMBL.	16263280
IC50 (functional)	= 50 uM	Inhibition of beta-hematin formation induced by 1-monooleoyl glycerol	ChEMBL.	16263280
IC50 (functional)	= 50 uM	Inhibition of beta-hematin formation induced by 1-monooleoyl glycerol	ChEMBL.	16263280
Inhibition (functional)	= 65 %	Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM	ChEMBL.	16263280
Inhibition (functional)	= 65 %	Inhibition of Plasmodium falciparum CQ-resistant strain FcB1 growth at 1 uM	ChEMBL.	16263280
Ratio CC50/IC50 (functional)	= 1	Selectivity index (CC50/IC50), anti-malarial activity relative to cytotoxic activity	ChEMBL.	16263280

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	16263280

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.

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External resources for this compound

ChEMBL: CHEMBL199543

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 348720