TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 380.437 | Formula: C22H24N2O4
H donors: 2 H acceptors: 3 LogP: 5.67 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCc1ccc(c(c1)O)Oc1ccccc1NC(=O)c1ccno1
InChi: 1S/C22H24N2O4/c1-2-3-4-5-8-16-11-12-20(18(25)15-16)27-19-10-7-6-9-17(19)24-22(26)21-13-14-23-28-21/h6-7,9-15,25H,2-5,8H2,1H3,(H,24,26)
InChiKey: QQDJZRQLNZZHFK-UHFFFAOYSA-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

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Plasmodium falciparum	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Neospora caninum	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	Get druggable targets OG5_130466	All targets in OG5_130466
Trichomonas vaginalis	hypothetical protein	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium berghei	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	Get druggable targets OG5_130466	All targets in OG5_130466
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	Get druggable targets OG5_130466	All targets in OG5_130466
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium yoelii	enoyl-acyl carrier reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium vivax	enoyl-acyl carrier protein reductase	Get druggable targets OG5_130466	All targets in OG5_130466
Plasmodium knowlesi	enoyl-acyl carrier reductase, putative	Get druggable targets OG5_130466	All targets in OG5_130466

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)	hypothetical protein	0.0031	0.0188	0.0057
Brugia malayi	jmjC domain containing protein	0.0182	0.4219	0.6199
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0279	0.013
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0033	0.0231	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1428	0.1919
Plasmodium vivax	thioredoxin reductase, putative	0.0094	0.1872	0.3334
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0033	0.0231	0.0111
Echinococcus multilocularis	tumor protein p63	0.0399	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Plasmodium vivax	SET domain protein, putative	0.0035	0.0301	0.029
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Schistosoma mansoni	jumonji domain containing protein	0.0159	0.3601	0.4769
Onchocerca volvulus		0.0057	0.0879	0.1042
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0215	0.5089	0.8837
Plasmodium falciparum	thioredoxin reductase	0.0033	0.0231	0.0155
Schistosoma mansoni	ets-related	0.026	0.6283	0.8476
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0057	0.0879	0.1292
Plasmodium falciparum	glutathione reductase	0.0094	0.1872	0.3334
Onchocerca volvulus	Alhambra homolog	0.0034	0.0279	0.0136
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0169	0.3856	0.7132
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0223	0.5314	1
Brugia malayi	Animal haem peroxidase family protein	0.0031	0.0188	0.0277
Schistosoma mansoni	peroxidasin	0.0031	0.0188	0.0052
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Brugia malayi	Animal haem peroxidase family protein	0.0031	0.0188	0.0277
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0301	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Echinococcus multilocularis	survival motor neuron protein 1	0.0279	0.6806	0.6758
Schistosoma mansoni	hypothetical protein	0.02	0.4696	0.6283
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0215	0.5089	0.8837
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0072	0.1273	0.1139
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0182	0.4219	0.4131
Schistosoma mansoni	hypothetical protein	0.0057	0.0879	0.1007
Brugia malayi	Animal haem peroxidase family protein	0.0031	0.0188	0.0277
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0301	0.0207
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0301	0.0207
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0033	0.0231	0.0466
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0239	0.5729	1
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0154	0.0007
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0345	0.8563	1
Brugia malayi	Pre-SET motif family protein	0.0246	0.5914	0.8689
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0279	0.0248
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Echinococcus granulosus	survival motor neuron protein 1	0.0279	0.6806	0.6758
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0279	0.0192
Plasmodium vivax	glutathione reductase, putative	0.0094	0.1872	0.3334
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0182	0.4219	0.4131
Brugia malayi	Bromodomain containing protein	0.0034	0.0279	0.0409
Loa Loa (eye worm)	thioredoxin reductase	0.0094	0.1872	0.2586
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0033	0.0231	0.0466
Toxoplasma gondii	thioredoxin reductase	0.0094	0.1872	0.3334
Brugia malayi	hypothetical protein	0.003	0.0154	0.0227
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0154	0.0021
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0033	0.0231	0.0339
Onchocerca volvulus		0.028	0.6819	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0033	0.0231	0.0081
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1273	0.2049
Trypanosoma cruzi	trypanothione reductase, putative	0.0033	0.0231	0.0466
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0246	0.5914	0.8659
Brugia malayi	Fli-1 protein	0.026	0.6283	0.9231
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.1273	0.155
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0266	0.0117
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0494	0.0474
Brugia malayi	glutathione reductase	0.0094	0.1872	0.275
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0072	0.1273	0.6517
Echinococcus granulosus	peroxidasin	0.0031	0.0188	0.0038
Brugia malayi	hypothetical protein	0.0279	0.6806	1
Loa Loa (eye worm)	animal heme peroxidase	0.0031	0.0188	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0494	0.0348
Loa Loa (eye worm)	jmjC domain-containing protein	0.0111	0.2324	0.3265
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0033	0.0231	0.0155
Echinococcus granulosus	GA binding protein alpha chain	0.0086	0.1641	0.1513
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0494	0.0348
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0154	0.0021
Toxoplasma gondii	NADPH-glutathione reductase	0.0033	0.0231	0.0155
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0223	0.5314	1
Echinococcus multilocularis	peroxidasin	0.0031	0.0188	0.0038
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0279	0.0248
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0154	0.0007
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Echinococcus granulosus	peregrin	0.0034	0.0279	0.013
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0918	0.1153
Brugia malayi	jmjC domain containing protein	0.003	0.0151	0.0222
Plasmodium falciparum	thioredoxin reductase	0.0094	0.1872	0.3334
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0094	0.1872	0.2985
Brugia malayi	jmjC domain containing protein	0.003	0.0151	0.0222
Leishmania major	hypothetical protein, conserved	0.003	0.0154	0.0021
Echinococcus granulosus	thioredoxin glutathione reductase	0.0095	0.1888	0.1764
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0215	0.5089	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1273	0.2049
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0154	0.0007
Onchocerca volvulus		0.0035	0.0301	0.0169
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0033	0.0231	0.0155
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0279	0.0248
Echinococcus granulosus	geminin	0.02	0.4696	0.4615
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0154	0.0021
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0033	0.0231	0.0466
Brugia malayi	jmjC domain containing protein	0.003	0.0151	0.0222
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0111	0.2324	0.3003
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0223	0.5314	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0239	0.5729	1
Brugia malayi	Thioredoxin reductase	0.0094	0.1872	0.275
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Treponema pallidum	fructose-bisphosphate aldolase	0.0345	0.8563	1
Trichomonas vaginalis	hypothetical protein	0.0223	0.5314	0.61
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0215	0.5089	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0279	0.6806	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0169	0.3856	0.6594
Brugia malayi	Blistered cuticle protein 3	0.0031	0.0188	0.0277
Schistosoma mansoni	survival motor neuron protein	0.0057	0.0879	0.1007
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Brugia malayi	jmjC domain containing protein	0.003	0.0151	0.0222
Brugia malayi	Ets-domain containing protein	0.0086	0.1641	0.2411
Trichomonas vaginalis	set domain proteins, putative	0.028	0.6819	0.7907
Loa Loa (eye worm)	glutathione reductase	0.0094	0.1872	0.2586
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0086	0.1641	0.2239
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0301	0.0152
Echinococcus granulosus	jumonji domain containing protein	0.0048	0.0638	0.0495
Brugia malayi	jmjC domain containing protein	0.0111	0.2324	0.3414
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0301	0.0207
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0279	0.0177
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0095	0.1888	0.1764
Loa Loa (eye worm)	hypothetical protein	0.0073	0.131	0.1742
Brugia malayi	Ets-domain containing protein	0.0086	0.1641	0.2411
Onchocerca volvulus		0.0058	0.0918	0.11
Echinococcus multilocularis	lysine specific demethylase 5A	0.0111	0.2324	0.2206
Echinococcus multilocularis	peregrin	0.0034	0.0279	0.013
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0033	0.0231	0.0081
Brugia malayi	hypothetical protein	0.0031	0.0188	0.0277
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0223	0.5314	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0301	0.0152
Brugia malayi	Animal haem peroxidase family protein	0.0031	0.0188	0.0277
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0223	0.5314	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0094	0.1872	1
Brugia malayi	PHD-finger family protein	0.0034	0.0279	0.0409
Mycobacterium tuberculosis	Probable reductase	0.0215	0.5089	0.8837
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0033	0.0231	0.0155
Giardia lamblia	Fructose-bisphosphate aldolase	0.0345	0.8563	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0033	0.0231	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Echinococcus multilocularis	geminin	0.02	0.4696	0.4615
Leishmania major	trypanothione reductase	0.0094	0.1872	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0033	0.0231	0.0155
Loa Loa (eye worm)	animal heme peroxidase	0.0031	0.0188	0.0057
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0279	0.0192
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Mycobacterium tuberculosis	Probable dehydrogenase	0.0215	0.5089	0.8837
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0072	0.1273	0.1139
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.1256	0.1661
Echinococcus granulosus	lysine specific demethylase 5A	0.0111	0.2324	0.2206
Giardia lamblia	PHD finger protein 15	0.0034	0.0279	0.0057
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0111	0.2324	0.3003
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Loa Loa (eye worm)	blistered cuticle protein 3	0.0031	0.0188	0.0057
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0154	0.0007
Loa Loa (eye worm)	fli-1 protein	0.026	0.6283	0.9214
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Echinococcus multilocularis	jumonji domain containing protein	0.0048	0.0638	0.0495
Brugia malayi	hypothetical protein	0.0043	0.0494	0.0725
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0223	0.5314	0.9246
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0033	0.0231	0.0155
Echinococcus multilocularis	GA binding protein alpha chain	0.0086	0.1641	0.1513
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0033	0.0231	0.0466
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0223	0.5314	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0072	0.1273	0.155
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0279	0.013
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0033	0.0231	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Loa Loa (eye worm)	animal heme peroxidase	0.0031	0.0188	0.0057
Schistosoma mansoni	peroxidasin	0.0031	0.0188	0.0052
Brugia malayi	Animal haem peroxidase family protein	0.0031	0.0188	0.0277
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0033	0.0231	0.0466
Loa Loa (eye worm)	hypothetical protein	0.003	0.0154	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Schistosoma mansoni	gabp alpha	0.0086	0.1641	0.206
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0188	0.0057
Mycobacterium tuberculosis	Probable oxidoreductase	0.0239	0.5729	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0072	0.1273	0.2173
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0072	0.1273	0.1895
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0033	0.0231	0.0466
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0072	0.1273	0.2049
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0301	0.0207
Brugia malayi	Pre-SET motif family protein	0.0035	0.0301	0.0442
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0301	0.029
Schistosoma mansoni	cellular tumor antigen P53	0.0058	0.0918	0.106
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0223	0.5314	0.7786
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0279	0.0248
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0239	0.5729	1
Trypanosoma brucei	trypanothione reductase	0.0094	0.1872	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0345	0.8563	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0345	0.8563	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0215	0.5089	0.6586
Brugia malayi	Peroxidasin	0.0031	0.0188	0.0277
Plasmodium falciparum	glutathione reductase	0.0033	0.0231	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0301	0.0225
Schistosoma mansoni	hypothetical protein	0.0043	0.0494	0.0474
Schistosoma mansoni	hypothetical protein	0.0034	0.0279	0.0177
Schistosoma mansoni	hypothetical protein	0.02	0.4696	0.6283
Loa Loa (eye worm)	animal heme peroxidase	0.0031	0.0188	0.0057

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.507	Inhibition of Mycobacterium tuberculosis InhA	LITERATURE.	No reference
IC50 (binding)	= 3220 nM	Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA	ChEMBL.	18457948
IC50 (binding)	= 3220 nM	Inhibition of 100 nM Mycobacterium tuberculosis H37RV InhA	ChEMBL.	18457948
Ki (binding)	= 1 nM	Inhibition of Mycobacterium tuberculosis H37RV InhA	ChEMBL.	18457948
Ki (binding)	= 1 nM	Inhibition of Mycobacterium tuberculosis H37RV InhA	ChEMBL.	18457948
LogP	= 5.76	Partition coefficient, log P of the compound	ChEMBL.	18457948
MIC90 (functional)	> 200 ug ml-1	Antimicrobial activity against Mycobacterium tuberculosis H37RV	ChEMBL.	18457948
MIC90 (functional)	> 200 ug ml-1	Antimicrobial activity against Mycobacterium tuberculosis H37RV	ChEMBL.	18457948

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: CHEMBL428967

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 511176