TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 528.62 | Formula: C29H41N2O5P
H donors: 2 H acceptors: 4 LogP: 5.57 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCC[C@H](c1ccc(cc1)C)NC(=O)N1C(=O)C([C@@H]1Oc1ccc(cc1)CP(=O)(CCC)O)(CC)CC
InChi: 1S/C29H41N2O5P/c1-6-10-25(23-15-11-21(5)12-16-23)30-28(33)31-26(32)29(8-3,9-4)27(31)36-24-17-13-22(14-18-24)20-37(34,35)19-7-2/h11-18,25,27H,6-10,19-20H2,1-5H3,(H,30,33)(H,34,35)/t25-,27+/m1/s1
InChiKey: BFYMCZHLFKPUOB-VPUSJEBWSA-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
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.1471	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0022	0.0471	0.0508
Schistosoma mansoni	slit	0.0017	0.0306	0.0323
Mycobacterium leprae	Polyketide synthase Pks13	0.0037	0.0968	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Toxoplasma gondii	type I fatty acid synthase, putative	0.0017	0.033	0.3708
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2594	0.9998
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0037	0.0968	0.1043
Brugia malayi	GCC2 and GCC3 family protein	0.0017	0.0306	0.2077
Trypanosoma brucei	trans-sialidase, putative	0.0085	0.2595	1
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0017	0.0306	0.2077
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium ulcerans	thioesterase TesA	0.002	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0565	0.0565
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0024	0.0565	0.581
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0022	0.0471	0.0469
Plasmodium vivax	hypothetical protein, conserved	0.0022	0.0471	1
Brugia malayi	Peroxidasin	0.0052	0.1471	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0026	0.0615	0.6337
Mycobacterium ulcerans	polyketide synthase	0.0026	0.0615	0.0615
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.1471	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0022	0.0471	0.3203
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0026	0.0615	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0022	0.0471	0.0469
Schistosoma mansoni	septate junction protein	0.0017	0.0306	0.0323
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.1471	1
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0022	0.0471	0.484
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0146	0.4626	1
Echinococcus multilocularis	notch	0.0017	0.0306	0.0089
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0022	0.0471	0.1697
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Echinococcus multilocularis	protein jagged 1	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0024	0.0565	0.0609
Echinococcus multilocularis	slit 2 protein	0.0017	0.0306	0.0089
Brugia malayi	Delta serrate ligand family protein	0.0017	0.0306	0.2077
Brugia malayi	Muscle positioning protein 4	0.0017	0.0306	0.2077
Echinococcus multilocularis	neural cadherin	0.0017	0.0306	0.0089
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Trypanosoma brucei	trans-sialidase, putative	0.0085	0.2595	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0017	0.0306	0.0089
Mycobacterium ulcerans	fatty acid synthase Fas	0.0008	0.0005	0.0005
Brugia malayi	Cadherin domain containing protein	0.0017	0.0306	0.2077
Loa Loa (eye worm)	notch protein	0.0017	0.0306	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1119	0.7385
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.1471	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0022	0.0471	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Mycobacterium ulcerans	polyketide synthase Pks9	0.0016	0.0288	0.0288
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0022	0.0471	0.5
Echinococcus granulosus	protein jagged 1	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2594	0.9998
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Schistosoma mansoni	amine oxidase	0.0022	0.0471	0.1697
Schistosoma mansoni	peroxidasin	0.0052	0.1471	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0022	0.0471	0.0508
Echinococcus multilocularis		0.0022	0.0471	0.0469
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0267	0.1058
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Mycobacterium ulcerans	dehydrogenase	0.0022	0.0471	0.0471
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0267	0.2322
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0307	1	1
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0016	0.0267	0.5631
Schistosoma mansoni	amine oxidase	0.0022	0.0471	0.1697
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0022	0.0471	0.1697
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Plasmodium vivax	hypothetical protein, conserved	0.0022	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.002	0.0429	0.4398
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Echinococcus granulosus	slit 2 protein	0.0017	0.0306	0.0089
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2595	1
Trypanosoma brucei	trans-sialidase, putative	0.0085	0.2595	1
Onchocerca volvulus	Dual oxidase homolog	0.0052	0.1471	1
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0024	0.0565	0.3838
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Echinococcus granulosus	notch	0.0017	0.0306	0.0089
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0022	0.0471	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Mycobacterium ulcerans	polyketide synthase	0.0024	0.0565	0.0565
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0306	0.2077
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Mycobacterium ulcerans	thioesterase	0.002	0.0429	0.0429
Echinococcus granulosus	protein jagged 1	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Onchocerca volvulus	Peroxidasin homolog	0.0052	0.1471	1
Echinococcus granulosus	neural cadherin	0.0017	0.0306	0.0089
Trypanosoma brucei	trans-sialidase, putative	0.0085	0.2595	1
Toxoplasma gondii	EGF family domain-containing protein	0.0017	0.0306	0.3179
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2594	0.9998
Mycobacterium ulcerans	polyketide synthase Pks13	0.0037	0.0968	0.0968
Echinococcus multilocularis	protein jagged 2	0.0017	0.0306	0.0089
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0306	0.0089
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0016	0.0288	0.2941
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0026	0.0615	0.6337
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0024	0.054	0.0582
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0306	0.0089
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0146	0.4626	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0017	0.0306	0.0089
Echinococcus granulosus	peroxidasin	0.0052	0.1471	0.2763
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0024	0.054	0.0582
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0615	0.0663
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0008	0.003	0.0032
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0008	0.0005	0.0006
Brugia malayi	Blistered cuticle protein 3	0.0052	0.1471	1
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.1471	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0022	0.0471	0.0878
Echinococcus multilocularis	protein jagged 1	0.0017	0.0306	0.0089
Brugia malayi	hypothetical protein	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0206	0.0608
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0026	0.0615	0.0663
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.002	0.0405	0.0405
Echinococcus multilocularis	fibropellin Ia	0.0017	0.0306	0.0089
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0267	0.1813
Schistosoma mansoni	cell polarity protein	0.0017	0.0306	0.0323
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0026	0.0615	0.0615
Onchocerca volvulus		0.0023	0.0511	0.1762
Mycobacterium tuberculosis	Probable thioesterase TesA	0.002	0.0429	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0565	0.0565
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0016	0.0288	0.0288
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0022	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Echinococcus granulosus	fibropellin Ia	0.0017	0.0306	0.0089
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0026	0.0615	0.6337
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0016	0.0267	0.5631
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.002	0.0416	0.0448
Onchocerca volvulus		0.0022	0.0471	0.142
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Trypanosoma brucei	trans-sialidase	0.0085	0.2595	1
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.1471	1
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0014	0.0213	0.0229
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.002	0.0405	0.4155
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0022	0.0471	1
Onchocerca volvulus	Chorion peroxidase homolog	0.0052	0.1471	1
Echinococcus granulosus	protein jagged 2	0.0017	0.0306	0.0089
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Echinococcus multilocularis	neurogenic locus notch protein	0.0017	0.0306	0.0089
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.1471	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2594	0.9998
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0046	0.1295	0.88
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0.0267	0.0288
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0306	0.2077
Echinococcus multilocularis	peroxidasin	0.0052	0.1471	0.2763
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0023	0.0511	0.2872
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Loa Loa (eye worm)	animal heme peroxidase	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0024	0.0565	0.581
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0565	0.0565
Onchocerca volvulus		0.0043	0.1168	0.7401
Schistosoma mansoni	peroxidasin	0.0052	0.1471	1
Echinococcus granulosus	neurogenic locus notch protein	0.0017	0.0306	0.0089
Toxoplasma gondii	isocitrate dehydrogenase	0.0016	0.0267	0.2322
Brugia malayi	SWIRM domain containing protein	0.0022	0.0471	0.3203
Plasmodium falciparum	protoporphyrinogen oxidase	0.0022	0.0471	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.002	0.0405	0.0405
Mycobacterium ulcerans	monoamine oxidase	0.0022	0.0471	0.0471
Schistosoma mansoni	laminin gamma-3 chain	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Brugia malayi	Calcium binding EGF domain containing protein	0.0017	0.0306	0.2077
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Brugia malayi	Animal haem peroxidase family protein	0.0052	0.1471	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0022	0.0471	0.0469
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0022	0.0471	0.0469
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0022	0.0471	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0024	0.0565	0.0609
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0286	0.9278	1
Schistosoma mansoni	notch	0.0017	0.0306	0.0323
Onchocerca volvulus	Peroxidase homolog	0.0052	0.1471	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0026	0.0615	0.0663
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Giardia lamblia	High cysteine protein	0.0017	0.0306	0.5
Leishmania major	UDP-galactopyranose mutase	0.0022	0.0471	1
Brugia malayi	Cadherin domain containing protein	0.0017	0.0306	0.2077
Onchocerca volvulus		0.0052	0.1471	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0052	0.1471	1
Echinococcus granulosus	delta-like protein 1	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.001	0.0079	0.0085
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0017	0.0306	0.0089
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2595	1
Loa Loa (eye worm)	Notch2	0.0017	0.0306	0.1347
Onchocerca volvulus	Fatty acid synthase homolog	0.0044	0.1219	0.7836
Onchocerca volvulus	Peroxidase homolog	0.0052	0.1471	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0022	0.0471	0.0878
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Trypanosoma brucei	trans-sialidase, putative	0.0085	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0085	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0016	0.0278	0.2574
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0306	0.1347
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1471	1
Onchocerca volvulus		0.0052	0.1471	1
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0037	0.0968	0.1043
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0565	0.0609
Echinococcus granulosus	protein jagged 2	0.0017	0.0306	0.0089
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0022	0.0471	0.6826
Brugia malayi	EGF-like domain containing protein	0.0017	0.0306	0.2077
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0017	0.0306	0.0323
Echinococcus multilocularis	neurogenic locus protein delta	0.0017	0.0306	0.0089
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0018	0.0335	0.0361
Trypanosoma cruzi	trans-sialidase, putative	0.0085	0.2595	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0024	0.0565	0.0565
Loa Loa (eye worm)	fatty acid synthase	0.0024	0.0554	0.3189
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0267	0.1813
Mycobacterium ulcerans	oxidoreductase	0.0022	0.0471	0.0471
Schistosoma mansoni	hypothetical protein	0.0017	0.0306	0.0323
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0023	0.0511	0.0551
Toxoplasma gondii	histone lysine-specific demethylase	0.0022	0.0471	0.6826
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0511	0.3474
Echinococcus granulosus	neurogenic locus protein delta	0.0017	0.0306	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0471	0.2576
Brugia malayi	notch-like transmembrane receptor	0.0017	0.0306	0.2077
Onchocerca volvulus		0.0052	0.1471	1
Onchocerca volvulus	Peroxidasin homolog	0.0052	0.1471	1
Toxoplasma gondii	type I fatty acid synthase, putative	0.0026	0.0615	1
Brugia malayi	hypothetical protein	0.0022	0.0471	0.3203

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 15 %	In vivo inhibition in HLE-induced hamster lung hemorrhage when given orally at 10mg/kg, 2 hr before challenge by HLE	ChEMBL.	No reference
Inhibition (functional)	= 50 %	In vitro inhibition of Human Leukocyte Elastase enzyme in whole blood stimulated with A-23,187 (at dose 3 uM)	ChEMBL.	No reference
Inhibition (functional)	= 50 %	In vitro inhibition of Human Leukocyte Elastase enzyme in whole blood stimulated with A-23,187 (at dose 3 uM)	ChEMBL.	No reference
Ratio (binding)	= 906000 M-1 s-1	Compound was tested for inhibition of Human Leukocyte Elastase enzyme, expressed in term of bimolecular rate constant(Kinact/Ki)	ChEMBL.	No reference
Ratio (binding)	= 906000 M-1 s-1	Compound was tested for inhibition of Human Leukocyte Elastase enzyme, expressed in term of bimolecular rate constant(Kinact/Ki)	ChEMBL.	No reference

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: CHEMBL93739

Bibliographic References

No literature references available for this target.

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Detailed information for compound 152270