TDR Targets

Basic information

Technical information

TDR Targets ID: 443552
Name: rifamycin S
MW: 695.753 | Formula: C37H45NO12
H donors: 4 H acceptors: 8 LogP: 4.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 2
SMILES: CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2C(=O)C=C(C(=O)c2c(c3C)O)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C
InChi: 1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
InChiKey: BTVYFIMKUHNOBZ-ODRIEIDWSA-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

13553-79-2
EINECS 236-938-4
C14540
AIDS-070661
AIDS070661
NCI 144-130
2,7-(Epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-1,6,9,11(2H)-tetrone, 5,17,19,21-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, 21-acetate
1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin
Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-
Rifomycin S
NSC 144130
BRN 0604802

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mycobacterium tuberculosis	DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit)		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	DNA-directed RNA polymerase subunit beta	Get druggable targets OG5_130697	All targets in OG5_130697
Plasmodium knowlesi	DNA-directed RNA polymerase subunit beta, putative	Get druggable targets OG5_130697	All targets in OG5_130697
Plasmodium falciparum	DNA-directed RNA polymerase subunit beta, putative	Get druggable targets OG5_130697	All targets in OG5_130697
Wolbachia endosymbiont of Brugia malayi	DNA-directed RNA polymerase subunit beta/beta'	Get druggable targets OG5_130697	All targets in OG5_130697
Babesia bovis	rpoB	Get druggable targets OG5_130697	All targets in OG5_130697
Chlamydia trachomatis	DNA-directed RNA polymerase subunit beta	Get druggable targets OG5_130697	All targets in OG5_130697
Plasmodium berghei	DNA-directed RNA polymerase subunit beta, putative	Get druggable targets OG5_130697	All targets in OG5_130697
Treponema pallidum	DNA-directed RNA polymerase subunit beta	Get druggable targets OG5_130697	All targets in OG5_130697
Mycobacterium tuberculosis	DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit)	Get druggable targets OG5_130697	All targets in OG5_130697
Theileria parva	DNA-directed RNA polymerase beta chain, putative	Get druggable targets OG5_130697	All targets in OG5_130697
Mycobacterium leprae	DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT)	Get druggable targets OG5_130697	All targets in OG5_130697

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
Echinococcus multilocularis	glycoprotein Antigen 5	0.0086	0.0803	0.1501
Echinococcus granulosus	fibropellin Ia	0.0055	0.0417	0.0714
Brugia malayi	hypothetical protein	0.0408	0.4828	0.4828
Onchocerca volvulus		0.0086	0.0803	0.0718
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Plasmodium falciparum	DNA-directed RNA polymerase subunit beta, putative	0.0496	0.5932	1
Onchocerca volvulus		0.0059	0.0461	0.0373
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.252	0.4086
Echinococcus granulosus	Tolloid protein 1	0.0045	0.0283	0.0431
Echinococcus multilocularis	peroxidasin	0.0151	0.1608	0.3202
Brugia malayi	Delta serrate ligand family protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Toxoplasma gondii	ABC1 family protein	0.0035	0.0163	0.0443
Echinococcus granulosus	protein jagged 1	0.0055	0.0417	0.0714
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0408	0.4828	0.4828
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0036	0.0175	0.0518
Brugia malayi	Calcium binding EGF domain containing protein	0.0055	0.0417	0.0417
Schistosoma mansoni	equilibrative nucleoside transporter	0.0071	0.0611	0.06
Brugia malayi	Cadherin domain containing protein	0.0055	0.0417	0.0417
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0055	0.0417	0.0687
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Trypanosoma cruzi	Aph-1 protein, putative	0.0048	0.0332	0.3766
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0157	0.1688	0.2643
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0461	0.0461
Trypanosoma brucei	adenosine transporter 2, putative	0.0071	0.0611	1
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0408	0.4828	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Brugia malayi	Animal haem peroxidase family protein	0.0151	0.1608	0.1608
Brugia malayi	beta-lactamase	0.0035	0.0163	0.0163
Schistosoma mansoni	laminin gamma-3 chain	0.0055	0.0417	0.0405
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0821	1	1
Echinococcus granulosus	peroxidasin	0.0151	0.1608	0.3221
Echinococcus granulosus	tissue type plasminogen activator	0.0059	0.0461	0.0807
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.0124	0.1281	0.1281
Brugia malayi	hypothetical protein	0.0086	0.0803	0.0803
Brugia malayi	Peroxidasin	0.0151	0.1608	0.1608
Brugia malayi	Cadherin domain containing protein	0.0055	0.0417	0.0417
Schistosoma mansoni	peroxidasin	0.0151	0.1608	0.1598
Trypanosoma brucei	purine nucleoside transporter	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.0791
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Brugia malayi	Muscle positioning protein 4	0.0055	0.0417	0.0417
Brugia malayi	Trypsin-like protease protein 5	0.0086	0.0803	0.0803
Echinococcus granulosus	neurogenic locus notch protein	0.0055	0.0417	0.0714
Schistosoma mansoni	hypothetical protein	0.0086	0.0803	0.0791
Echinococcus multilocularis	Tolloid protein 1	0.0045	0.0283	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0803	0.0803
Schistosoma mansoni	slit	0.0055	0.0417	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0092	0.0079
Brugia malayi	Animal haem peroxidase family protein	0.0151	0.1608	0.1608
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0163	0.1915
Mycobacterium leprae	DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT)	0.0496	0.5932	1
Chlamydia trachomatis	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0096	0.0924	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0283
Schistosoma mansoni	protein kinase	0.0071	0.0612	0.0601
Trypanosoma brucei	nucleoside transporter 1, putative	0.0071	0.0611	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0059	0.0461	0.0461
Echinococcus granulosus	laminin	0.0045	0.0283	0.0431
Trypanosoma cruzi	nucleoside transporter-like, putative	0.0071	0.0611	1
Trypanosoma cruzi	Aph-1 protein, putative	0.0048	0.0332	0.3766
Echinococcus granulosus	neural cadherin	0.0055	0.0417	0.0714
Brugia malayi	Calcium binding EGF domain containing protein	0.0055	0.0417	0.0417
Leishmania major	nucleobase transporter	0.0071	0.0611	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0086	0.0803	0.1526
Onchocerca volvulus	Peroxidase homolog	0.0151	0.1608	0.153
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0157	0.1688	0.2643
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Brugia malayi	GCC2 and GCC3 family protein	0.0055	0.0417	0.0417
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0157	0.1688	0.2202
Wolbachia endosymbiont of Brugia malayi	DNA-directed RNA polymerase subunit beta/beta'	0.0496	0.5932	1
Loa Loa (eye worm)	hypothetical protein	0.018	0.1978	0.1978
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0055	0.0417	0.0417
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0071	0.0611	0.0962
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0408	0.4828	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0092	0.0092
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Loa Loa (eye worm)	notch protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0611	0.0611
Onchocerca volvulus	Peroxidasin homolog	0.0151	0.1608	0.153
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.018	0.1978	0.1978
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1, putative	0.0071	0.0611	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0059	0.0461	0.666
Chlamydia trachomatis	DNA-directed RNA polymerase subunit beta	0.0496	0.5932	1
Echinococcus multilocularis	equilibrative nucleoside transporter protein	0.0408	0.4828	1
Loa Loa (eye worm)	hypothetical protein	0.0821	1	1
Toxoplasma gondii	kringle domain-containing protein	0.0059	0.0461	0.2316
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Echinococcus multilocularis	slit 2 protein	0.0055	0.0417	0.0687
Schistosoma mansoni	peroxidasin	0.0151	0.1608	0.1598
Echinococcus granulosus	neurogenic locus notch protein 4	0.0055	0.0417	0.0714
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Trypanosoma brucei	adenosine transporter 2, putative	0.0071	0.0611	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0163	0.0163
Echinococcus multilocularis	fibropellin Ia	0.0055	0.0417	0.0687
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0071	0.0611	0.0962
Brugia malayi	Calcium binding EGF domain containing protein	0.0055	0.0417	0.0417
Echinococcus granulosus	protein jagged 1	0.0055	0.0417	0.0714
Mycobacterium tuberculosis	3-phosphoshikimate 1-carboxyvinyltransferase AroA (5-enolpyruvylshikimate-3-phosphate synthase) (EPSP synthase) (EPSPS)	0.0061	0.0489	0.0566
Brugia malayi	Pre-SET motif family protein	0.0029	0.0092	0.0092
Toxoplasma gondii	nucleoside transporter protein	0.0071	0.0611	0.3255
Echinococcus multilocularis	equilibrative nucleoside transporter 3	0.0337	0.3942	0.8129
Giardia lamblia	Hypothetical protein	0.0408	0.4828	1
Brugia malayi	Protein kinase domain containing protein	0.0059	0.0461	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0283
Onchocerca volvulus		0.0086	0.0803	0.0718
Echinococcus multilocularis	neurogenic locus protein delta	0.0055	0.0417	0.0687
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0163	0.0177
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1	0.0071	0.0611	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0092	0.0079
Brugia malayi	Animal haem peroxidase family protein	0.0151	0.1608	0.1608
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0055	0.0417	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Echinococcus granulosus	delta-like protein 1	0.0055	0.0417	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	blistered cuticle protein 3	0.0151	0.1608	0.1608
Echinococcus multilocularis	enteropeptidase	0.0086	0.0803	0.1501
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0163	0.0149
Loa Loa (eye worm)	trypsin family protein	0.0086	0.0803	0.0803
Onchocerca volvulus		0.0086	0.0803	0.0718
Trypanosoma brucei	Aph-1 protein, putative	0.0048	0.0332	0.5329
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0092	0.0079
Brugia malayi	beta-lactamase family protein	0.0035	0.0163	0.0163
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Trichomonas vaginalis	set domain proteins, putative	0.0233	0.2635	0.53
Brugia malayi	Calcium binding EGF domain containing protein	0.0045	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Brugia malayi	Pre-SET motif family protein	0.0204	0.2282	0.2282
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1, putative	0.0071	0.0611	1
Trypanosoma brucei	unspecified product	0.0071	0.0611	1
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0045	0.0283	0.0271
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0045	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0092	0.0079
Mycobacterium ulcerans	3-dehydroquinate synthase	0.0061	0.0489	0.0566
Trypanosoma brucei	adenosine transporter, putative	0.0071	0.0611	1
Onchocerca volvulus		0.0086	0.0803	0.0718
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0086	0.0803	0.0803
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Brugia malayi	Trypsin family protein	0.0086	0.0803	0.0803
Schistosoma mansoni	hypothetical protein	0.0059	0.0461	0.045
Loa Loa (eye worm)	animal heme peroxidase	0.0151	0.1608	0.1608
Onchocerca volvulus		0.0035	0.0163	0.0071
Brugia malayi	gamma-secretase subunit aph-1	0.0124	0.1281	0.1281
Onchocerca volvulus	Dual oxidase homolog	0.0151	0.1608	0.153
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0045	0.0283	0.0283
Onchocerca volvulus	Slit protein homolog	0.0055	0.0417	0.0328
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	Notch2	0.0055	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Onchocerca volvulus		0.0035	0.0163	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Onchocerca volvulus		0.0055	0.0417	0.0328
Onchocerca volvulus		0.0035	0.0163	0.0071
Trypanosoma brucei	unspecified product	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Echinococcus multilocularis	protein jagged 1	0.0055	0.0417	0.0687
Trypanosoma brucei	adenosine transporter 2, putative	0.0071	0.0611	1
Mycobacterium ulcerans	DNA-directed RNA polymerase subunit beta	0.0496	0.5932	1
Onchocerca volvulus	Peroxidase homolog	0.0151	0.1608	0.153
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0071	0.0611	0.0962
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0163	0.015
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0408	0.4828	0.478
Onchocerca volvulus		0.0055	0.0417	0.0328
Loa Loa (eye worm)	animal heme peroxidase	0.0151	0.1608	0.1608
Echinococcus granulosus	neurogenic locus notch protein	0.0055	0.0417	0.0714
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0092	0.0028
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0157	0.1688	1
Echinococcus multilocularis	Mastin	0.0086	0.0803	0.1501
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0055	0.0417	0.0687
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0059	0.0461	1
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1	0.0071	0.0611	1
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Onchocerca volvulus	Equilibrative nucleoside transporter, putative homolog	0.0408	0.4828	0.478
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0086	0.0803	0.0791
Trypanosoma cruzi	nucleobase transporter, putative	0.0071	0.0611	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Echinococcus granulosus	notch	0.0055	0.0417	0.0714
Toxoplasma gondii	nucleoside transporter protein	0.0071	0.0611	0.3255
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Echinococcus granulosus	gamma secretase subunit aph 1	0.0124	0.1281	0.2533
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Treponema pallidum	DNA-directed RNA polymerase subunit beta	0.0496	0.5932	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0408	0.4828	1
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0163	0.2508
Plasmodium falciparum	cysteine repeat modular protein 1	0.0059	0.0461	0.0446
Brugia malayi	hypothetical protein	0.0071	0.0611	0.0611
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Toxoplasma gondii	nucleoside transporter protein	0.0071	0.0611	0.3255
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.2282	0.2282
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Echinococcus granulosus	protein jagged 2	0.0055	0.0417	0.0714
Echinococcus granulosus	transmembrane protease serine 3	0.0086	0.0803	0.1526
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Brugia malayi	hypothetical protein	0.0252	0.2879	0.2879
Trypanosoma cruzi	nucleobase transporter, putative	0.0071	0.0611	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.0791
Brugia malayi	hypothetical protein	0.0151	0.1608	0.1608
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0038	0.0206	0.3097
Echinococcus multilocularis	protein jagged 1	0.0055	0.0417	0.0687
Leishmania major	hypothetical protein, conserved	0.0059	0.0461	0.666
Trypanosoma brucei	adenosine transporter, putative	0.0071	0.0611	1
Trypanosoma brucei	adenosine transporter 2, putative	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0071	0.0611	0.0962
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Loa Loa (eye worm)	animal heme peroxidase	0.0151	0.1608	0.1608
Schistosoma mansoni	egf-like domain protein	0.0045	0.0283	0.0271
Trypanosoma cruzi	nucleoside transporter-like, putative	0.0071	0.0611	1
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0045	0.0283	0.0283
Echinococcus granulosus	equilibrative nucleoside transporter	0.0408	0.4828	1
Echinococcus granulosus	enteropeptidase	0.0086	0.0803	0.1526
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Brugia malayi	Fibulin-1 precursor	0.0045	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0055	0.0417	0.0405
Brugia malayi	Animal haem peroxidase family protein	0.0151	0.1608	0.1608
Echinococcus multilocularis	neurogenic locus protein delta	0.0055	0.0417	0.0687
Schistosoma mansoni	septate junction protein	0.0055	0.0417	0.0405
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Trichomonas vaginalis	conserved hypothetical protein	0.0175	0.1917	0.376
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0821	1	1
Echinococcus granulosus	neurogenic locus protein delta	0.0055	0.0417	0.0714
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0045	0.0283	0.12
Echinococcus multilocularis	gamma secretase subunit aph 1	0.0124	0.1281	0.2512
Echinococcus multilocularis	protein jagged 2	0.0055	0.0417	0.0687
Trypanosoma brucei	adenosine transporter 2	0.0071	0.0611	1
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1, putative	0.0071	0.0611	1
Trypanosoma cruzi	nucleoside transporter 1, putative	0.0071	0.0611	1
Trypanosoma cruzi	nucleobase transporter, putative	0.0071	0.0611	1
Mycobacterium ulcerans	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	0.0096	0.0924	0.1319
Trypanosoma brucei	purine nucleoside transporter	0.0071	0.0611	1
Leishmania major	nucleoside transporter 1, putative	0.0071	0.0611	1
Onchocerca volvulus	Peroxidasin homolog	0.0151	0.1608	0.153
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Leishmania major	inosine-guanosine transporter;with=GeneDB:LinJ36_V3.2040	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0821	1	1
Echinococcus multilocularis	laminin	0.0045	0.0283	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0803	0.0803
Loa Loa (eye worm)	hypothetical protein	0.0252	0.2879	0.2879
Onchocerca volvulus		0.0233	0.2635	0.2567
Echinococcus multilocularis	notch	0.0055	0.0417	0.0687
Schistosoma mansoni	notch	0.0055	0.0417	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0803	0.0803
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0163	0.015
Brugia malayi	Blistered cuticle protein 3	0.0151	0.1608	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.0791
Onchocerca volvulus	Putative cubilin	0.0055	0.0417	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Brugia malayi	Animal haem peroxidase family protein	0.0151	0.1608	0.1608
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	animal heme peroxidase	0.0151	0.1608	0.1608
Brugia malayi	Nucleoside transporter family protein	0.0408	0.4828	0.4828
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Echinococcus multilocularis	transmembrane protease serine 3	0.0086	0.0803	0.1501
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.0791
Schistosoma mansoni	gamma-secretase subunit aph-1	0.0124	0.1281	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0803	0.0803
Echinococcus granulosus	Mastin	0.0086	0.0803	0.1526
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0045	0.0283	0.0283
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Echinococcus multilocularis	neurogenic locus notch protein	0.0055	0.0417	0.0687
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1, putative	0.0071	0.0611	1
Trypanosoma brucei	nucleoside transporter 1, putative	0.0071	0.0611	1
Trypanosoma brucei	nucleobase/nucleoside transporter 8.1, putative	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Echinococcus granulosus	equilibrative nucleoside transporter 3	0.0408	0.4828	1
Schistosoma mansoni	3-dehydroquinate synthase	0.0061	0.0489	0.0477
Onchocerca volvulus		0.0151	0.1608	0.153
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0071	0.0611	0.0962
Mycobacterium tuberculosis	DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit)	0.0496	0.5932	1
Loa Loa (eye worm)	hypothetical protein	0.0408	0.4828	0.4828
Onchocerca volvulus		0.0426	0.5053	0.5007
Onchocerca volvulus	Arrow homolog	0.0045	0.0283	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0283
Leishmania major	nucleobase transporter	0.0071	0.0611	1
Mycobacterium leprae	3-dehydroquinate synthase AroB	0.0061	0.0489	0.0566
Schistosoma mansoni	cercarial elastase (S01 family)	0.0086	0.0803	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Onchocerca volvulus		0.0735	0.8922	0.8912
Onchocerca volvulus	Chorion peroxidase homolog	0.0151	0.1608	0.153
Echinococcus multilocularis	tissue type plasminogen activator	0.0059	0.0461	0.078
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1608	0.1608
Trypanosoma brucei	adenosine transporter 2	0.0071	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0283
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0086	0.0803	0.1526
Brugia malayi	Trypsin family protein	0.0086	0.0803	0.0803
Onchocerca volvulus		0.0055	0.0417	0.0328
Schistosoma mansoni	hypothetical protein	0.0086	0.0803	0.0791
Onchocerca volvulus	Neurogenic locus notch homolog	0.0055	0.0417	0.0328
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Echinococcus granulosus	slit 2 protein	0.0055	0.0417	0.0714
Brugia malayi	Kringle domain containing protein	0.0059	0.0461	0.0461
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0086	0.0803	0.1501
Onchocerca volvulus		0.0821	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0283	0.0283
Onchocerca volvulus		0.0055	0.0417	0.0328
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0408	0.4828	1
Brugia malayi	notch-like transmembrane receptor	0.0055	0.0417	0.0417
Echinococcus multilocularis	fibrillin 1	0.0045	0.0283	0.0404
Echinococcus granulosus	glycoprotein Antigen 5	0.0086	0.0803	0.1526
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0086	0.0803	0.1501
Onchocerca volvulus		0.0086	0.0803	0.0718
Loa Loa (eye worm)	hypothetical protein	0.0408	0.4828	0.4828
Schistosoma mansoni	cell polarity protein	0.0055	0.0417	0.0405
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.0408	0.4828	1
Mycobacterium tuberculosis	3-dehydroquinate synthase AroB	0.0061	0.0489	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Schistosoma mansoni	hypothetical protein	0.0055	0.0417	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0163	0.0163
Echinococcus granulosus	protein jagged 2	0.0055	0.0417	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0803	0.0803
Echinococcus multilocularis	neural cadherin	0.0055	0.0417	0.0687
Brugia malayi	EGF-like domain containing protein	0.0055	0.0417	0.0417
Trypanosoma cruzi	nucleoside transporter 1, putative	0.0071	0.0611	1
Brugia malayi	Trypsin family protein	0.0086	0.0803	0.0803
Onchocerca volvulus		0.0151	0.1608	0.153
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0417	0.0417
Onchocerca volvulus		0.0151	0.1608	0.153
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0045	0.0283	0.12
Toxoplasma gondii	EGF family domain-containing protein	0.0055	0.0417	0.2039
Onchocerca volvulus		0.0055	0.0417	0.0328
Trypanosoma cruzi	nucleoside transporter 1, putative	0.0071	0.0611	1
Entamoeba histolytica	nucleoside transporter, putative	0.0408	0.4828	1
Trypanosoma brucei	adenosine transporter 2, putative	0.0071	0.0611	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0055	0.0417	0.0687
Mycobacterium ulcerans	hypothetical protein	0.0086	0.0803	0.111
Leishmania major	nucleoside transporter 1, putative	0.0071	0.0611	1
Onchocerca volvulus		0.0252	0.2879	0.2812

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	< 0.01 uM	Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay	ChEMBL.	21903392
logIC50 (binding)	= -2.1734	Inhibition of wild type Mycobacterium tuberculosis RNA polymerase after 10 mins using ribo green staining by rolling circle transcription assay	ChEMBL.	21903392
MIC (functional)	= 0.016 ug ml-1	Antibacterial activity against rifamycin-sensitive Staphylococcus aureus CB190 ATCC 29213	ChEMBL.	17826091
MIC (functional)	= 4 ug ml-1	Antibacterial activity against rifamycin-resistance Staphylococcous aureus CB372	ChEMBL.	17826091
MIC (functional)	> 64 ug ml-1	Antibacterial activity against rifamycin-resistance Staphylococcous aureus CB370	ChEMBL.	17826091
MIC (functional)	= 128 ug ml-1	Antibacterial activity against Escherichia coli 1074	ChEMBL.	16378365
MIC90 (functional)	= 0.03 uM	Antimicrobial activity against replicating Mycobacterium tuberculosis after 8 days by micro plate alamar blue assay	ChEMBL.	21903392
MIC90 (functional)	= 0.4 uM	Antimicrobial activity against non-replicating Mycobacterium tuberculosis after 11 days by luminescence based low oxygen recovery assay	ChEMBL.	21903392
MIC90 (functional)	= 0.78 uM	Antimicrobial activity against Escherichia coli EC2880 mutant after 16 to 20 hrs	ChEMBL.	21903392
MIC90 (functional)	= 100 uM	Antimicrobial activity against wild type Escherichia coli TG2 after 16 to 20 hrs	ChEMBL.	21903392
MIC90 (functional)	> 100 uM	Antimicrobial activity against wild type Escherichia coli DH5[alpha] after 16 to 20 hrs	ChEMBL.	21903392

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
ChEMBL: CHEMBL236921
PubChem: 6436726

Bibliographic References

5 literature references were collected for this gene.

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Detailed information for compound 443552