TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.394 | Formula: C21H18N4O
H donors: 1 H acceptors: 1 LogP: 3.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)c1ccc2c(c1)nc(n2C)c1ccc(cc1)Oc1ccccc1
InChi: 1S/C21H18N4O/c1-25-19-12-9-15(20(22)23)13-18(19)24-21(25)14-7-10-17(11-8-14)26-16-5-3-2-4-6-16/h2-13H,1H3,(H3,22,23)
InChiKey: TXPXOHWKNNSFMA-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
Trypanosoma cruzi	aldo-keto reductase	0.0283	0.3453	1
Echinococcus granulosus	hypothetical protein	0.0283	0.3453	0.5656
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0283	0.3453	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0624	0.1022
Loa Loa (eye worm)	oxidoreductase	0.0283	0.3453	0.5656
Loa Loa (eye worm)	tyrosinase 1	0.0089	0.0952	0.156
Trypanosoma cruzi	aldo/keto reductase, putative	0.0082	0.0857	0.2391
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0406	0.0665
Echinococcus granulosus	mitogen activated protein kinase 3	0.0063	0.0609	0.0998
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0406	0.0665
Trypanosoma brucei	aldo/keto reductase, putative	0.0082	0.0857	0.2391
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0609	0.1664
Brugia malayi	Protein kinase domain containing protein	0.0093	0.0998	0.1635
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3736	0.612
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus granulosus	mitogen activated protein kinase	0.0063	0.0609	0.0998
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0489	0.6105	1
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0406	0.0665
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.0998	0.2804
Leishmania major	aldo-keto reductase-like protein	0.0283	0.3453	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0267	0.0662
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0042	0.0121
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0099	0.1081	0.3047
Echinococcus multilocularis	cdgsh iron sulfur domain containing protein	0.0259	0.3136	0.3136
Schistosoma mansoni	patched 1	0.0043	0.0349	0.0572
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0228	0.0545
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0267	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0406	0.0665
Echinococcus granulosus	expressed conserved protein	0.0093	0.1003	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0252	0.0413
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0042	0.0068
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Echinococcus granulosus	cdgsh iron sulfur domain containing protein	0.0259	0.3136	0.5137
Brugia malayi	Serine/threonine-protein kinase Pim-3	0.0489	0.6105	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Schistosoma mansoni	serine/threonine protein kinase	0.0489	0.6105	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.0952	0.156
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1081	0.1771
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0624	0.1022
Trichomonas vaginalis	aldo/keto reductase, putative	0.0283	0.3453	1
Echinococcus granulosus	aldo keto reductase	0.0283	0.3453	0.5656
Schistosoma mansoni	tyrosinase precursor	0.0089	0.0952	0.156
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0998	0.1635
Echinococcus multilocularis	aldo keto reductase	0.0283	0.3453	0.3453
Trichomonas vaginalis	conserved hypothetical protein	0.0082	0.0857	0.2391
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0283	0.3453	1
Giardia lamblia	Aldose reductase	0.0283	0.3453	1
Mycobacterium leprae	Conserved hypothetical protein	0.0201	0.2394	0.6526
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0349	0.0572
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0406	0.1068
Echinococcus granulosus	aldo keto reductase	0.0283	0.3453	0.5656
Schistosoma mansoni	hypothetical protein	0.0041	0.0329	0.0539
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0609	0.1664
Onchocerca volvulus		0.0089	0.0952	0.156
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0406	0.1175
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Onchocerca volvulus		0.0283	0.3453	0.5656
Schistosoma mansoni	hypothetical protein	0.0041	0.0329	0.0539
Brugia malayi	Protein kinase domain containing protein	0.0489	0.6105	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.1101	0.1803
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0063	0.0609	0.1664
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0093	0.0998	0.2891
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0609	0.1664
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0035	0.0252	0.0618
Mycobacterium ulcerans	hypothetical protein	0.0082	0.0857	0.2391
Entamoeba histolytica	aldose reductase, putative	0.0283	0.3453	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0035	0.0252	0.0618
Giardia lamblia	Kinase, CMGC MAPK	0.0063	0.0609	0.1664
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0063	0.0609	0.0998
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0047	0.0406	0.1068
Plasmodium vivax	aldehyde reductase, putative	0.0082	0.0857	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.0998	0.2804
Plasmodium falciparum	aldo-keto reductase, putative	0.0082	0.0857	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	muscleblind protein	0.0305	0.3736	0.3736
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0082	0.0857	0.2483
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0089	0.0952	0.156
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.1631	0.2672
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0093	0.0998	0.1635
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0063	0.0609	0.1664
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0042	0.0068
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0042	0.0068
Brugia malayi	Muscleblind-like protein	0.0305	0.3736	0.612
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0047	0.0406	0.1068
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0082	0.0857	0.2391
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0047	0.0406	0.1068
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0093	0.0998	0.2804
Onchocerca volvulus		0.0089	0.0952	0.156
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0252	0.0413
Loa Loa (eye worm)	oxidoreductase	0.0283	0.3453	0.5656
Giardia lamblia	Aldose reductase	0.0283	0.3453	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0082	0.0857	0.2391
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus granulosus	dual specificity	0.0093	0.0998	0.1635
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.0952	0.156
Plasmodium falciparum	acyl-CoA synthetase	0.0035	0.0252	0.2944
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.1121	0.3164
Echinococcus granulosus	aldo keto reductase	0.0283	0.3453	0.5656
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0624	0.1022
Onchocerca volvulus		0.0283	0.3453	0.5656
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0427	0.0427
Schistosoma mansoni	hypothetical protein	0.0274	0.3337	0.5466
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0283	0.3453	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0063	0.0609	0.1764
Mycobacterium ulcerans	oxidoreductase	0.0283	0.3453	1
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1121	0.1836
Echinococcus granulosus	aldehyde reductase	0.0201	0.2394	0.3922
Brugia malayi	AMP-binding enzyme family protein	0.0047	0.0406	0.0665
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0406	0.1175
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0624	0.1022
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0047	0.0406	0.1068
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0082	0.0857	0.2391
Onchocerca volvulus		0.0047	0.0406	0.0665
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0406	0.1068
Onchocerca volvulus		0.011	0.1218	0.1995
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3736	0.612
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0252	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0473	0.0775
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0283	0.3453	0.5656
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.1081	0.1771
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.1121	0.3164
Trypanosoma cruzi	aldo/keto reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0042	0.0042
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0406	0.1068
Trypanosoma brucei	prostaglandin f synthase	0.0283	0.3453	1
Loa Loa (eye worm)	oxidoreductase	0.0283	0.3453	0.5656
Schistosoma mansoni	serine/threonine protein kinase	0.0063	0.0609	0.0998
Entamoeba histolytica	acyl-coA synthetase, putative	0.0047	0.0406	0.1068
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0624	0.0624
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0228	0.0545
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0042	0.0042
Brugia malayi	TAR-binding protein	0.0064	0.0624	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0952	0.156
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.0952	0.156
Echinococcus multilocularis	aldo keto reductase	0.0283	0.3453	0.3453
Entamoeba histolytica	protein kinase, putative	0.0093	0.0998	0.2804
Loa Loa (eye worm)	ShTK domain-containing protein	0.0089	0.0952	0.156
Echinococcus granulosus	dna polymerase eta	0.0019	0.0042	0.0068
Schistosoma mansoni	aldo-keto reductase	0.0283	0.3453	0.5656
Echinococcus multilocularis	expressed conserved protein	0.0093	0.1003	0.1003
Brugia malayi	Common central domain of tyrosinase family protein	0.0089	0.0952	0.156
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0283	0.3453	0.5656
Onchocerca volvulus		0.0021	0.0074	0.0121
Loa Loa (eye worm)	oxidoreductase	0.0283	0.3453	0.5656
Brugia malayi	Uncharacterized hematopoietic stem/progenitor cells protein MDS029	0.011	0.1218	0.1995
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0228	0.0545
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus granulosus	proto oncogene serine:threonine protein kinase	0.0489	0.6105	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Schistosoma mansoni	pol-related	0.0283	0.3453	0.5656
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0283	0.3453	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0082	0.0857	0.0857
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0033	0.0228	0.0545
Entamoeba histolytica	hypothetical protein	0.0093	0.0998	0.2804
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Entamoeba histolytica	aldose reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	aldo keto reductase	0.0283	0.3453	0.3453
Schistosoma mansoni	aldo-keto reductase	0.0283	0.3453	0.5656
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0082	0.0857	0.1404
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.1081	0.1771
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0035	0.0252	0.5
Entamoeba histolytica	heat shock transcription factor, putative	0.0103	0.1121	0.3164
Brugia malayi	NADH-dependent xylose reductase	0.0082	0.0857	0.1404
Echinococcus multilocularis	muscleblind protein 1	0.0305	0.3736	0.3736
Brugia malayi	RNA binding protein	0.0064	0.0624	0.1022
Schistosoma mansoni	hypothetical protein	0.0036	0.0267	0.0438
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0063	0.0609	0.1664
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Schistosoma mansoni	CDGSH-type Zn finger-containing protein-like protein	0.0274	0.3337	0.5466
Brugia malayi	CHE-14 protein	0.0043	0.0349	0.0572
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Mycobacterium ulcerans	acyl-CoA synthetase	0.0047	0.0406	0.1068
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0349	0.0901
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0082	0.0857	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0063	0.0609	0.0609
Trichomonas vaginalis	aldo-keto reductase, putative	0.0082	0.0857	0.2391
Trypanosoma brucei	protein kinase, putative	0.0063	0.0609	0.1664
Brugia malayi	ShTK domain containing protein	0.0089	0.0952	0.156
Onchocerca volvulus		0.0082	0.0857	0.1404
Entamoeba histolytica	hypothetical protein	0.0036	0.0267	0.0662
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0082	0.0857	0.1404
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0042	0.0068
Trichomonas vaginalis	aldo/keto reductase, putative	0.0283	0.3453	1
Entamoeba histolytica	aldose reductase, putative	0.0283	0.3453	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0082	0.0857	0.1404
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0082	0.0857	0.2483
Echinococcus granulosus	voltage gated potassium channel subunit	0.0082	0.0857	0.1404
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0283	0.3453	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.0283	0.3453	1
Loa Loa (eye worm)	CAMK/PIM protein kinase	0.0489	0.6105	1
Schistosoma mansoni	tyrosinase precursor	0.0089	0.0952	0.156
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0042	0.0068
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0283	0.3453	0.5656
Onchocerca volvulus		0.0283	0.3453	0.5656
Schistosoma mansoni	hypothetical protein	0.0041	0.0329	0.0539
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0042	0.0068
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0624	0.1022
Entamoeba histolytica	hypothetical protein	0.0036	0.0267	0.0662
Plasmodium vivax	acyl-CoA synthetase, putative	0.0035	0.0252	0.2944
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0042	0.0068
Trichomonas vaginalis	CMGC family protein kinase	0.0063	0.0609	0.1664
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0267	0.0438
Loa Loa (eye worm)	hypothetical protein	0.009	0.0955	0.1564
Mycobacterium tuberculosis	Conserved protein	0.0082	0.0857	0.2391
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0063	0.0609	0.1764
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0063	0.0609	0.1664
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0283	0.3453	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.1631	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0349	0.0572
Onchocerca volvulus		0.0283	0.3453	0.5656
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0624	0.1022
Schistosoma mansoni	potassium channel beta	0.0082	0.0857	0.1404
Mycobacterium leprae	Possible oxidoreductase	0.0082	0.0857	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0252	0.0413
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0082	0.0857	0.2483
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Loa Loa (eye worm)	hypothetical protein	0.011	0.1218	0.1995
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0042	0.0068
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0063	0.0609	0.1764
Onchocerca volvulus		0.0283	0.3453	0.5656
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0089	0.0952	0.156
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0042	0.0042
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	aldehyde reductase	0.0201	0.2394	0.2394
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0952	0.156
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0063	0.0609	0.0609
Leishmania major	prostaglandin f synthase, putative	0.0283	0.3453	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0283	0.3453	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0283	0.3453	0.5656
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0042	0.0068
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0042	0.0121
Schistosoma mansoni	hypothetical protein	0.0041	0.0329	0.0539
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0624	0.1022
Echinococcus multilocularis	protein patched	0.0043	0.0349	0.0349
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0624	0.1022
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Onchocerca volvulus		0.0089	0.0952	0.156
Entamoeba histolytica	alcohol dehydrogenase, putative	0.0082	0.0857	0.2391
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0267	0.0438
Echinococcus multilocularis	dual specificity	0.0093	0.0998	0.0998
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0063	0.0609	0.1664
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0047	0.0406	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0252	0.0413
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.0998	0.2804
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.1081	0.1081
Toxoplasma gondii	aldose reductase, putative	0.0283	0.3453	1
Loa Loa (eye worm)	oxidoreductase	0.0283	0.3453	0.5656
Echinococcus granulosus	muscleblind protein	0.0305	0.3736	0.612
Brugia malayi	MAP kinase sur-1	0.0063	0.0609	0.0998
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0283	0.3453	0.3453
Onchocerca volvulus		0.0283	0.3453	0.5656
Entamoeba histolytica	protein kinase, putative	0.0093	0.0998	0.2804
Entamoeba histolytica	hypothetical protein	0.0036	0.0267	0.0662
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0349	0.0349
Leishmania major	DNA polymerase eta, putative	0.0019	0.0042	0.0121
Plasmodium falciparum	aldehyde reductase, putative	0.0082	0.0857	1
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0103	0.1121	0.1836
Onchocerca volvulus	Serine\/threonine protein kinase homolog	0.0489	0.6105	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.3453	0.5656
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0047	0.0406	0.1068
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Loa Loa (eye worm)	hypothetical protein	0.009	0.0955	0.1564
Onchocerca volvulus		0.0089	0.0952	0.156
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0103	0.1121	0.1836
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0624	0.1022
Mycobacterium ulcerans	hypothetical protein	0.0047	0.0406	0.1068
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0349	0.0572
Trichomonas vaginalis	aldo-keto reductase, putative	0.0283	0.3453	1
Echinococcus multilocularis	aldo keto reductase	0.0283	0.3453	0.3453
Echinococcus multilocularis	proto oncogene serine:threonine protein kinase	0.0489	0.6105	0.6105
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0349	0.0572
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0047	0.0406	0.1068
Toxoplasma gondii	aldo-keto reductase	0.0082	0.0857	0.2483
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0624	0.1022
Brugia malayi	hypothetical protein	0.0036	0.0267	0.0438
Leishmania major	4-coumarate:coa ligase-like protein	0.0047	0.0406	0.1175
Trichomonas vaginalis	aldo-keto reductase, putative	0.0082	0.0857	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0406	0.0665
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0283	0.3453	0.5656
Trypanosoma brucei	aldo-keto reductase, putative	0.0283	0.3453	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 44 uM	Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.	ChEMBL.	11412977
IC50 (binding)	= 44 uM	Inhibition of KinA/Sp0F system two component (TCS) from Bacillus subtilis.	ChEMBL.	11412977
MIC (functional)	= 16 ug ml-1	Inhibition of growth of Staphylococcus aureus ATCC 29213.	ChEMBL.	11412977
MIC (functional)	= 32 ug ml-1	Inhibition of growth of methicillin resistant Staphylococcus aureus MRSA OC 2089.	ChEMBL.	11412977
MIC (functional)	= 32 ug ml-1	Inhibition of growth of Vancomycin resistant Enterococcus faecalis (VRE) OC 3312.	ChEMBL.	11412977
MIC (functional)	> 64 ug ml-1	Inhibition of growth of Enterococcus faecalis OC 3041.	ChEMBL.	11412977

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: CHEMBL39040

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 56327