TDR Targets

Basic information

Technical information

TDR Targets ID: 1879880
Name: (3Z)-3-(2-oxopropylidene)-4H-1,4-benzoxazin-2 -one
MW: 203.194 | Formula: C11H9NO3
H donors: 1 H acceptors: 2 LogP: 1.43 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)/C=c/1\[nH]c2ccccc2oc1=O
InChi: 1S/C11H9NO3/c1-7(13)6-9-11(14)15-10-5-3-2-4-8(10)12-9/h2-6,12H,1H3/b9-6-
InChiKey: WEAVOYWFPUXBBO-TWGQIWQCSA-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

(3Z)-3-acetonylidene-4H-1,4-benzoxazin-2-one
ZINC00083414
MLS000552908
SMR000175879

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Human immunodeficiency virus 1	Aberrant vpr protein	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Csnk2b protein	0.0074	0.0692	0.3145
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Schistosoma mansoni	acetyl-CoA synthetase	0.0021	0.0035	0.0032
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Plasmodium falciparum	casein kinase II beta chain	0.0074	0.0692	0.3401
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Loa Loa (eye worm)	casein kinase II	0.0022	0.0047	0.0196
Echinococcus multilocularis	lamin dm0	0.0033	0.018	0.0163
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0066	0.0049
Mycobacterium ulcerans	hypothetical protein	0.0071	0.0649	0.308
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.0724
Toxoplasma gondii	hypothetical protein	0.0035	0.0207	0.0509
Echinococcus multilocularis	tissue type plasminogen activator	0.0054	0.0441	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0066	0.0049
Toxoplasma gondii	subtilisin SUB12	0.0035	0.0207	0.0509
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0071	0.0649	0.9343
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0066	0.0467
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0066	0.0154
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0183	0.2028	1
Toxoplasma gondii	microneme protein MIC4	0.0035	0.0207	0.0509
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0021	0.0035	0.0175
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0066	0.0154
Toxoplasma gondii	ck2 beta subunit	0.0074	0.0692	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0649	0.2948
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0035	0.0269
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Onchocerca volvulus		0.0021	0.0035	0.0157
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.0649	0.2948
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0313	0.0296
Leishmania major	protein kinase ck2 regulatory subunit, putative	0.0074	0.0692	1
Leishmania major	DNA polymerase eta, putative	0.0023	0.0066	0.0905
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1857	0.1854
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0021	0.0035	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0053	0.043	0.1945
Brugia malayi	Variant SH3 domain containing protein	0.0133	0.1414	0.6441
Loa Loa (eye worm)	hypothetical protein	0.0053	0.043	0.1945
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0394	0.1943
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0021	0.0035	0.0175
Echinococcus granulosus	lamin dm0	0.0033	0.018	0.0163
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.0649	0.2948
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0207	0.0509
Entamoeba histolytica	hypothetical protein	0.0043	0.0313	0.4227
Plasmodium vivax	casein kinase II beta chain, putative	0.0074	0.0692	0.3401
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0172	0.077
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Onchocerca volvulus		0.0035	0.0207	0.1641
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0021	0.0035	0.0144
Leishmania major	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0459
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0021	0.0035	0.0175
Trichomonas vaginalis	hypothetical protein	0.0183	0.2028	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0313	0.0296
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0316	0.1406
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.2193	0.218
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Toxoplasma gondii	PAN domain-containing protein	0.0324	0.3755	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0066	0.0049
Echinococcus granulosus	casein kinase ii subunit beta	0.0074	0.0692	0.0676
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0316	0.0299
Echinococcus multilocularis	casein kinase ii subunit beta	0.0074	0.0692	0.0676
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0207	0.093
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Leishmania major	phospholipase c-like protein	0.0019	0.0017	0.0195
Plasmodium falciparum	casein kinase II beta chain	0.0074	0.0692	0.3401
Toxoplasma gondii	1,3(4)-beta-glucanase	0.0035	0.0207	0.0509
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0071	0.0649	0.308
Schistosoma mansoni	hypothetical protein	0.0054	0.0441	0.0437
Brugia malayi	Phosphatidylinositol-specific phospholipase C, X domain containing protein	0.0019	0.0017	0.0061
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0441	0.6272
Schistosoma mansoni	lamin	0.0033	0.018	0.0176
Toxoplasma gondii	microneme protein MIC17C	0.0035	0.0207	0.0509
Trypanosoma brucei	glucosidase, putative	0.0044	0.0316	0.442
Loa Loa (eye worm)	oxidoreductase	0.0021	0.0035	0.0144
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0207	0.093
Onchocerca volvulus		0.0035	0.0207	0.1641
Onchocerca volvulus		0.0035	0.0207	0.1641
Plasmodium vivax	casein kinase II beta chain, putative	0.0074	0.0692	0.3401
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0074	0.0692	1
Toxoplasma gondii	microneme protein, putative	0.0035	0.0207	0.0509
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0207	0.0509
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.0724
Brugia malayi	intermediate filament protein	0.0033	0.018	0.0803
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0022	0.0047	0.0172
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0022	0.0047	0.0057
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0316	0.1406
Onchocerca volvulus		0.0035	0.0207	0.1641
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.0649	0.308
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.2193	1
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0066	0.0154
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0156
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0183	0.2028	1
Brugia malayi	hypothetical protein	0.0043	0.0313	0.1413
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0269
Onchocerca volvulus		0.0035	0.0207	0.1641
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Onchocerca volvulus		0.0035	0.0207	0.1641
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0035	0.0175
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0316	0.1406
Leishmania major	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0017	0.0061
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0316	0.1406
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Plasmodium vivax	acyl-CoA synthetase, putative	0.0053	0.043	0.2103
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0207	0.0509
Echinococcus granulosus	lamin	0.0033	0.018	0.0163
Trichomonas vaginalis	protein kinase ck2-beta, putative	0.0022	0.0047	0.0057
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0285
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0066	0.0724
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.0649	0.9373
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.0649	0.9373
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.0649	0.308
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0183	0.2028	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0316	0.0299
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0021	0.0035	0.0144
Brugia malayi	AMP-binding enzyme family protein	0.0071	0.0649	0.2948
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0316	0.0799
Onchocerca volvulus		0.0114	0.1176	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0035	0.0175
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0316	0.442
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0053	0.043	0.1978
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0071	0.0649	0.308
Schistosoma mansoni	lamin	0.0033	0.018	0.0176
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0316	0.1406
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0021	0.0035	0.0049
Onchocerca volvulus		0.0021	0.0035	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0144
Onchocerca volvulus		0.0071	0.0649	0.5455
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0071	0.0649	0.3201
Toxoplasma gondii	microneme protein MIC17B	0.0035	0.0207	0.0509
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Brugia malayi	Cytochrome P450 family protein	0.0055	0.045	0.2039
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0316	0.1406
Brugia malayi	casein kinase II, putaitve	0.0022	0.0047	0.0196
Echinococcus multilocularis	musashi	0.0033	0.018	0.0163
Brugia malayi	Protein kinase domain containing protein	0.0054	0.0441	0.1996
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0207	0.093
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0183	0.2028	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.2193	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.045	0.2039
Plasmodium falciparum	cysteine repeat modular protein 1	0.0054	0.0441	0.2158
Entamoeba histolytica	acyl-coA synthetase, putative	0.0071	0.0649	0.9343
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Onchocerca volvulus		0.0035	0.0207	0.1641
Schistosoma mansoni	alpha glucosidase	0.0044	0.0316	0.0312
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0066	0.0062
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0021	0.0035	0.0049
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0066	0.0905
Entamoeba histolytica	hypothetical protein	0.0043	0.0313	0.4227
Plasmodium falciparum	acyl-CoA synthetase	0.0053	0.043	0.2103
Schistosoma mansoni	alpha-glucosidase	0.0169	0.1857	0.1854
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Toxoplasma gondii	PAN/Apple domain-containing protein	0.0035	0.0207	0.0509
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Onchocerca volvulus		0.0035	0.0207	0.1641
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0316	0.4266
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Entamoeba histolytica	hypothetical protein	0.0043	0.0313	0.4227
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0649	0.2948
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0074	0.0692	0.5828
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0285
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0071	0.0649	0.9343
Toxoplasma gondii	propionate-CoA ligase	0.0021	0.0035	0.0049
Loa Loa (eye worm)	TK/ROR protein kinase	0.0054	0.0441	0.1996
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0207	0.093
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0066	0.0062
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0066	0.0154
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0066	0.0049
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0066	0.0062
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0066	0.0285
Onchocerca volvulus		0.0035	0.0207	0.1641
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0133	0.1414	0.6441
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0071	0.0649	0.308
Leishmania major	alpha glucosidase II subunit, putative	0.0044	0.0316	0.4529
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0066	0.0326
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Onchocerca volvulus		0.0033	0.018	0.1402
Loa Loa (eye worm)	phosphatidylinositol-specific phospholipase C	0.0019	0.0017	0.0061
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0035	0.0459
Onchocerca volvulus		0.0033	0.018	0.1402
Loa Loa (eye worm)	hypothetical protein	0.0053	0.043	0.1945
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0269
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0441	0.1996
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.2193	0.218
Loa Loa (eye worm)	Csnk2b protein	0.0074	0.0692	0.3145
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0021	0.0035	0.0175
Entamoeba histolytica	hypothetical protein	0.0043	0.0313	0.4227
Toxoplasma gondii	casein kinase ii regulatory subunit protein	0.0074	0.0692	0.1806
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0035	0.0269
Toxoplasma gondii	PAN domain-containing protein	0.0035	0.0207	0.0509
Trypanosoma brucei	unspecified product	0.0023	0.0066	0.0724
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0074	0.0692	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0316	0.1406
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.018	0.0803
Toxoplasma gondii	microneme protein MIC17A	0.0035	0.0207	0.0509
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0316	0.1425
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0071	0.0649	0.308
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0074	0.0692	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0066	0.0326
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0394	0.1943
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0066	0.0905
Schistosoma mansoni	casein kinase II beta subunit	0.0074	0.0692	0.0689
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0316	0.1406
Loa Loa (eye worm)	hypothetical protein	0.0053	0.043	0.1945
Schistosoma mansoni	hypothetical protein	0.0043	0.0313	0.0309
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0207	0.093
Echinococcus granulosus	intermediate filament protein	0.0033	0.018	0.0163
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0021	0.0035	0.0018
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0316	0.1406
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0394	0.1943
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0054	0.0441	0.2158
Loa Loa (eye worm)	PAN domain-containing protein	0.0035	0.0207	0.093
Toxoplasma gondii	kringle domain-containing protein	0.0054	0.0441	0.1133
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trypanosoma cruzi	Casein kinase II subunit beta, putative	0.0074	0.0692	1
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0183	0.2028	0.5381
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0066	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0649	0.2948
Schistosoma mansoni	intermediate filament proteins	0.0033	0.018	0.0176
Echinococcus granulosus	tissue type plasminogen activator	0.0054	0.0441	0.0424
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0071	0.0649	0.3201
Onchocerca volvulus		0.0054	0.0441	0.3655
Leishmania major	hypothetical protein, conserved	0.0054	0.0441	0.6345
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0035	0.0144
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0066	0.0724
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.018	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0017	0.0061
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0066	0.0049
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0021	0.0035	0.0175
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0066	0.0724
Giardia lamblia	Casein kinase II beta chain	0.0074	0.0692	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0035	0.0269
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0021	0.0035	0.0175
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0035	0.0175
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0071	0.0649	0.308
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Toxoplasma gondii	PAN domain-containing protein	0.0324	0.3755	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.018	0.0803
Onchocerca volvulus		0.0021	0.0035	0.0157
Echinococcus multilocularis	lamin	0.0033	0.018	0.0163
Onchocerca volvulus	Casein kinase II subunit beta homolog	0.0074	0.0692	0.5828
Trypanosoma brucei	Casein kinase II subunit beta, putative	0.0074	0.0692	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.0394	0.1943
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0183	0.2028	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.0316	0.442
Loa Loa (eye worm)	hypothetical protein	0.0053	0.043	0.1945
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0074	0.0692	1
Entamoeba histolytica	casein kinase II regulatory subunit family protein	0.0022	0.0047	0.0172
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0313	0.0309
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0183	0.2028	1
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0156
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0053	0.043	0.2118
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0316	0.4266
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0316	0.1425
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0071	0.0649	0.308
Toxoplasma gondii	hypothetical protein	0.0035	0.0207	0.0509
Brugia malayi	AMP-binding enzyme family protein	0.0021	0.0035	0.0144
Leishmania major	4-coumarate:coa ligase-like protein	0.0071	0.0649	0.9373
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0021	0.0035	0.0175
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0022	0.0047	0.0057
Onchocerca volvulus		0.0021	0.0035	0.0157
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Trichomonas vaginalis	casein kinase II beta chain, putative	0.0074	0.0692	0.3297
Loa Loa (eye worm)	hypothetical protein	0.0033	0.018	0.0803
Brugia malayi	PAN domain containing protein	0.0035	0.0207	0.093
Mycobacterium ulcerans	acyl-CoA synthetase	0.0071	0.0649	0.308
Brugia malayi	Kringle domain containing protein	0.0054	0.0441	0.1996
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0066	0.0724
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.2193	0.218
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0183	0.2028	1
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0066	0.03
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0021	0.0035	0.0269
Onchocerca volvulus		0.0035	0.0207	0.1641
Onchocerca volvulus		0.0035	0.0207	0.1641
Echinococcus granulosus	dna polymerase eta	0.0023	0.0066	0.0049
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0021	0.0035	0.0175

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 2.238721139 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 7.943282347 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	0.1651 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	141.2538 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3196253

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1879880