TDR Targets

Basic information

Technical information

TDR Targets ID: 590209
Name: batrachotoxinin-A N-methylanthranilate
MW: 550.686 | Formula: C32H42N2O6
H donors: 3 H acceptors: 3 LogP: 2.63 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CNc1ccccc1C(=O)OC(C1=CC[C@]23C1(CN(C)CCO2)C[C@@H](O)C12C3=CC[C@H]3[C@]2(C)CC[C@@](O1)(O)C3)C
InChi: 1S/C32H42N2O6/c1-20(39-27(36)22-7-5-6-8-24(22)33-3)23-11-12-31-25-10-9-21-17-30(37)14-13-28(21,2)32(25,40-30)26(35)18-29(23,31)19-34(4)15-16-38-31/h5-8,10-11,20-21,26,33,35,37H,9,12-19H2,1-4H3/t20?,21-,26-,28+,29?,30+,31?,32?/m1/s1
InChiKey: WRXNSZUMLDUSOO-ZXGICYLPSA-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
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0039	0.0016	0.0021
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0039	0.0016	0.0021
Onchocerca volvulus		0.0227	0.2257	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0837	0.0837
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0877	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0039	0.0016	0.002
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0108	0.0837	0.1075
Mycobacterium leprae	Probable lipase LipE	0.0108	0.0837	0.1273
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0227	0.2257	0.2257
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0227	0.2257	0.2257
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0039	0.0016	0.0069
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0146	0.0146
Plasmodium falciparum	enoyl-acyl carrier reductase	0.058	0.6464	0.6464
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0039	0.0016	0.0016
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0146	0.0146
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0837	0.1075
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0039	0.0016	0.0069
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0039	0.0016	0.0024
Loa Loa (eye worm)	hypothetical protein	0.005	0.0146	0.0146
Mycobacterium tuberculosis	Probable lipase LipD	0.0108	0.0837	0.1075
Mycobacterium ulcerans	beta-lactamase	0.0108	0.0837	0.1294
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0649	0.729	0.729
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0837	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Mycobacterium tuberculosis	Probable lipase LipE	0.0108	0.0837	0.1075
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0108	0.0837	0.0837
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0108	0.0837	0.0837
Mycobacterium tuberculosis	Possible oxidoreductase	0.0039	0.0016	0.002
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0039	0.0016	0.0016
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0837	0.1294
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0227	0.2257	0.2257
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Schistosoma mansoni	dihydropteridine reductase	0.0039	0.0016	0.0016
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Trypanosoma brucei	hypothetical protein, conserved	0.0227	0.2257	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0016	0.0016
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0837	0.0837
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0039	0.0016	0.0016
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0227	0.2257	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0227	0.2257	0.2257
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Leishmania major	oxidoreductase-like protein	0.0039	0.0016	0.0069
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Leishmania major	hypothetical protein, conserved	0.0108	0.0837	0.3707
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0039	0.0016	0.0024
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0108	0.0837	0.1075
Brugia malayi	beta-lactamase	0.0108	0.0837	0.0837
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0227	0.2257	0.2257
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0877	1	1
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0877	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.2257	1
Mycobacterium ulcerans	lipase LipD	0.0108	0.0837	0.1294
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0227	0.2257	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0039	0.0016	0.002
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0039	0.0016	0.002
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0039	0.0016	0.0024
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0227	0.2257	0.2257
Brugia malayi	beta-lactamase family protein	0.0108	0.0837	0.0837
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0039	0.0016	0.0016
Echinococcus granulosus	beta LACTamase domain containing family member	0.0108	0.0837	0.0837
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0039	0.0016	0.0016
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0837	0.3707
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0227	0.2257	1
Giardia lamblia	Rab geranylgeranyltransferase	0.0877	1	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0108	0.0837	0.1294
Leishmania major	pteridine reductase 1	0.0039	0.0016	0.0069
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Trypanosoma brucei	pteridine reductase 1	0.0039	0.0016	0.0069
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0837	0.1075
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0227	0.2257	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0108	0.0837	0.3707
Schistosoma mansoni	hypothetical protein	0.0172	0.1601	0.1601
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.058	0.6464	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0227	0.2257	0.2257
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0039	0.0016	0.002
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0039	0.0016	0.0016
Mycobacterium tuberculosis	Probable hydrolase	0.0108	0.0837	0.1075
Echinococcus multilocularis	geminin	0.0172	0.1601	0.1601
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0039	0.0016	0.002
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0877	1	1
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.058	0.6464	0.8866
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Giardia lamblia	Rab geranylgeranyltransferase	0.0227	0.2257	0.2257
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0877	1	1
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.058	0.6464	0.6464
Toxoplasma gondii	hypothetical protein	0.0649	0.729	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0039	0.0016	0.0024
Onchocerca volvulus		0.0108	0.0837	0.3663
Mycobacterium ulcerans	esterase/lipase LipP	0.0108	0.0837	0.1294
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0039	0.0016	0.0069
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0877	1	1
Mycobacterium tuberculosis	Conserved protein	0.0108	0.0837	0.1075
Trichomonas vaginalis	penicillin-binding protein, putative	0.0108	0.0837	0.0837
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.058	0.6464	1
Trypanosoma brucei	hypothetical protein, conserved	0.0108	0.0837	0.3707
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0039	0.0016	0.0069
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0837	0.0837
Trichomonas vaginalis	hypothetical protein	0.058	0.6464	0.6464
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0039	0.0016	0.0069
Brugia malayi	beta-lactamase family protein	0.0108	0.0837	0.0837
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0108	0.0837	0.0837
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0039	0.0016	0.0016
Echinococcus granulosus	geminin	0.0172	0.1601	0.1601
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0039	0.0016	0.0016
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.058	0.6464	0.8303
Trypanosoma cruzi	hypothetical protein, conserved	0.0227	0.2257	1
Trypanosoma brucei	oxidoreductase-like protein	0.0039	0.0016	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0877	1	1
Onchocerca volvulus		0.0108	0.0837	0.3663
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0837	0.0837
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0877	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0039	0.0016	0.002
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0039	0.0016	0.0016
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0039	0.0016	0.0069
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0227	0.2257	0.2257
Schistosoma mansoni	hypothetical protein	0.0172	0.1601	0.1601
Loa Loa (eye worm)	beta-lactamase	0.0108	0.0837	0.0837
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0108	0.0837	0.0837
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0039	0.0016	0.0024
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0691	0.7785	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0039	0.0016	0.002
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0227	0.2257	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0039	0.0016	0.0024
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0039	0.0016	0.0024
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0108	0.0837	0.1075
Toxoplasma gondii	hypothetical protein	0.0227	0.2257	0.3096
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0877	1	1
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0039	0.0016	0.0016
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0039	0.0016	0.0021
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0227	0.2257	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0877	1	1
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0227	0.2257	0.2257
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0039	0.0016	0.0024
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0146	0.0146
Trichomonas vaginalis	D-aminoacylase, putative	0.0108	0.0837	0.0837
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.058	0.6464	1
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0227	0.2257	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0877	1	1
Loa Loa (eye worm)	oxidoreductase	0.0039	0.0016	0.0016
Onchocerca volvulus		0.0108	0.0837	0.3663
Mycobacterium ulcerans	oxidoreductase	0.0039	0.0016	0.0024
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.058	0.6464	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0039	0.0016	0.002
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0039	0.0016	0.0024
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0227	0.2257	0.2257
Mycobacterium ulcerans	short chain dehydrogenase	0.0039	0.0016	0.0024
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0837	0.1273
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0837	0.0837
Toxoplasma gondii	ABC1 family protein	0.0108	0.0837	0.1148
Trichomonas vaginalis	esterase, putative	0.0108	0.0837	0.0837
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0039	0.0016	0.0069
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0039	0.0016	0.0024
Mycobacterium tuberculosis	Probable esterase LipL	0.0108	0.0837	0.1075
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0227	0.2257	0.2257

Activities

No activities found for this compound.

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

Search by CAS
PubChem: 57305

Bibliographic References

No literature references available for this target.

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Detailed information for compound 590209