TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 640.599 | Formula: C29H25N6NaO8S
H donors: 5 H acceptors: 9 LogP: 2.3 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: Oc1ccccc1C(=O)[N-]S(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2N)c1ccccc1c1ccccc1.[Na+]
InChi: 1S/C29H26N6O8S.Na/c30-25-22-27(33-26(32-25)18-11-5-4-10-17(18)16-8-2-1-3-9-16)35(15-31-22)29-24(38)23(37)21(43-29)14-42-44(40,41)34-28(39)19-12-6-7-13-20(19)36;/h1-13,15,21,23-24,29,37-38H,14H2,(H4,30,32,33,34,36,39);/q;+1/p-1/t21-,23-,24-,29-;/m1./s1
InChiKey: CSFTUOJCJBCXTN-HMPRVOSNSA-M

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	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	Get druggable targets OG5_146698	All targets in OG5_146698
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	Get druggable targets OG5_146698	All targets in OG5_146698

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	565 aa	475 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0286	0.0843
Loa Loa (eye worm)	hypothetical protein	0.008	0.0182	0.0515
Mycobacterium tuberculosis	Probable metal cation transporter P-type ATPase CtpV	0.008	0.0182	0.0645
Schistosoma mansoni	DNA polymerase eta	0.0064	0.012	0.0316
Echinococcus multilocularis	dual specificity	0.0087	0.021	0.0191
Echinococcus granulosus	cation transporting ATPase 13A3	0.008	0.0182	0.0506
Schistosoma mansoni	hypothetical protein	0.0098	0.0255	0.0744
Brugia malayi	Protein kinase domain containing protein	0.0087	0.021	0.066
Leishmania major	hypothetical protein, conserved	0.0053	0.0074	0.3142
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.008	0.0182	0.1367
Entamoeba histolytica	hypothetical protein	0.0149	0.0455	0.3658
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.008	0.0182	0.0645
Onchocerca volvulus		0.0092	0.0228	1
Brugia malayi	Pax transcription activation domain interacting protein	0.0092	0.0228	0.0718
Brugia malayi	ImpB/MucB/SamB family protein	0.0039	0.002	0.0062
Echinococcus granulosus	peregrin	0.0062	0.011	0.0282
Echinococcus granulosus	copper transporting ATPase 1	0.008	0.0182	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Plasmodium vivax	hypothetical protein, conserved	0.0062	0.011	0.2336
Mycobacterium tuberculosis	Probable cation transporter P-type ATPase D CtpD	0.008	0.0182	0.0645
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.008	0.0182	0.0163
Schistosoma mansoni	serine/threonine protein kinase	0.0087	0.021	0.0602
Plasmodium vivax	cation transporting ATPase, putative	0.008	0.0182	0.7014
Schistosoma mansoni	atpase class VI type 11c	0.008	0.0182	0.0515
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Echinococcus multilocularis	phospholipid transporting ATPase VA	0.008	0.0182	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Trypanosoma cruzi	copper-transporting ATPase-like protein, putative	0.008	0.0182	0.7871
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.008	0.0182	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0255	0.0744
Giardia lamblia	DNA repair protein RAD52	0.0339	0.121	1
Plasmodium vivax	P-type ATPase4, putative	0.008	0.0182	0.7014
Trichomonas vaginalis	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Schistosoma mansoni	hypothetical protein	0.0212	0.0708	0.2177
Loa Loa (eye worm)	hypothetical protein	0.0835	0.3181	1
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.008	0.0182	0.7871
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0074	0.2871
Echinococcus multilocularis	dna polymerase eta	0.0064	0.012	0.01
Plasmodium vivax	replication factor C subunit 1, putative	0.0092	0.0228	1
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.1367
Schistosoma mansoni	hypothetical protein	0.0098	0.0255	0.0744
Brugia malayi	RNA binding protein	0.0063	0.0113	0.0354
Mycobacterium ulcerans	metal cation transporter p-type ATPase, CtpV	0.008	0.0182	0.0645
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0311	0.1098	0.3412
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0113	0.0354
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0092	0.0228	0.0718
Entamoeba histolytica	protein kinase, putative	0.0087	0.021	0.1597
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0092	0.0228	1
Schistosoma mansoni	copper ABC transporter ATPase	0.008	0.0182	0.0515
Toxoplasma gondii	PHD-finger domain-containing protein	0.0062	0.011	0.4536
Loa Loa (eye worm)	hypothetical protein	0.008	0.0182	0.0515
Echinococcus granulosus	geminin	0.0167	0.0528	0.158
Plasmodium vivax	calcium-transporting ATPase, putative	0.008	0.0182	0.7014
Entamoeba histolytica	protein kinase domain containing protein	0.0087	0.021	0.1597
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.008	0.0182	0.0506
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0074	0.2622
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.7797
Entamoeba histolytica	hypothetical protein	0.0096	0.0247	0.1912
Brugia malayi	Na,K-ATPase alpha subunit	0.008	0.0182	0.0574
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0092	0.0228	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.008	0.0182	0.7797
Schistosoma mansoni	phosphoserine phosphatase	0.008	0.0182	0.0515
Echinococcus granulosus	lysine specific demethylase 5A	0.0075	0.0162	0.0443
Trypanosoma brucei	DNA polymerase eta, putative	0.0064	0.012	0.4781
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.008	0.0182	0.0645
Toxoplasma gondii	phospholipid-translocating P-type ATPase, flippase subfamily protein	0.008	0.0182	0.7871
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.008	0.0182	0.7871
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0149	0.0455	0.1353
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.008	0.0182	0.7871
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.008	0.0182	0.1367
Trypanosoma cruzi	copper-transporting ATPase, putative	0.008	0.0182	0.7871
Plasmodium falciparum	replication factor C subunit 1, putative	0.0092	0.0228	1
Echinococcus multilocularis	copper transporting ATPase 1	0.008	0.0182	0.0163
Schistosoma mansoni	cation-transporting ATPase	0.008	0.0182	0.0515
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0087	0.021	0.0602
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0092	0.0228	0.1754
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0113	0.0294
Schistosoma mansoni	chromosome transmission fidelity factor	0.0092	0.0228	0.066
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0062	0.011	0.0091
Echinococcus multilocularis	cation transporting ATPase 13A1	0.008	0.0182	0.0163
Mycobacterium ulcerans	cation-transporter p-type ATPase B CtpB	0.008	0.0182	0.0645
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0092	0.0228	1
Schistosoma mansoni	hypothetical protein	0.0098	0.0255	0.0744
Echinococcus granulosus	GPCR family 2	0.0098	0.0255	0.0731
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.008	0.0182	0.0506
Brugia malayi	hypothetical protein	0.0092	0.0228	0.0718
Giardia lamblia	Replication factor C, subunit 1	0.0092	0.0228	0.1754
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0092	0.0228	0.5
Echinococcus granulosus	phospholipid transporting ATPase VA	0.008	0.0182	0.0506
Schistosoma mansoni	cation-transporting atpase 13a1 (G-box binding protein)	0.008	0.0182	0.0515
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0113	0.0294
Brugia malayi	ImpB/MucB/SamB family protein	0.0064	0.012	0.0376
Echinococcus multilocularis	GPCR, family 2	0.0098	0.0255	0.0236
Loa Loa (eye worm)	transcription factor SMAD2	0.0367	0.1321	0.4118
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.008	0.0182	0.0515
Trichomonas vaginalis	ATPase, class I, type 8B, putative	0.008	0.0182	0.7797
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0675	0.2545	1
Brugia malayi	topoisomerase	0.0092	0.0228	0.0718
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.002	0.0338
Trypanosoma cruzi	copper-transporting ATPase-like protein, putative	0.008	0.0182	0.7871
Giardia lamblia	PHD finger protein 15	0.0062	0.011	0.0762
Trichomonas vaginalis	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0039	0.002	0.0369
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0113	0.0093
Trypanosoma cruzi	phospholipid-transporting ATPase-like protein, putative	0.008	0.0182	0.7871
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Schistosoma mansoni	hypothetical protein	0.0167	0.0528	0.1609
Mycobacterium tuberculosis	Probable metal cation transporter ATPase P-type CtpE	0.008	0.0182	0.0645
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.008	0.0182	0.7871
Trichomonas vaginalis	ATPase, class VI, type 11C, putative	0.008	0.0182	0.7797
Echinococcus granulosus	dna polymerase eta	0.0064	0.012	0.031
Schistosoma mansoni	ATPase	0.008	0.0182	0.0515
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0074	0.2871
Trypanosoma cruzi	P-type H+-ATPase, putative	0.008	0.0182	0.7871
Entamoeba histolytica	protein kinase, putative	0.0087	0.021	0.1597
Echinococcus multilocularis	jumonji domain containing protein	0.0086	0.0207	0.0187
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0062	0.011	0.0287
Brugia malayi	jmjC domain containing protein	0.0203	0.067	0.2107
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0339	0.121	1
Plasmodium vivax	copper-transporting ATPase, putative	0.008	0.0182	0.7014
Brugia malayi	DKFZp564C0469 protein	0.0092	0.0228	0.0718
Loa Loa (eye worm)	jmjC domain-containing protein	0.0128	0.0372	0.1116
Echinococcus multilocularis	peregrin	0.0062	0.011	0.0091
Loa Loa (eye worm)	PHD-finger family protein	0.0062	0.011	0.0287
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.085	0.3238	0.3225
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0092	0.0228	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.008	0.0182	0.8613
Schistosoma mansoni	DNA ligase IV	0.0092	0.0228	0.066
Brugia malayi	E1-E2 ATPase family protein	0.008	0.0182	0.0574
Brugia malayi	hypothetical protein	0.008	0.0182	0.0574
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.008	0.0182	0.1367
Trypanosoma brucei	P-type H+-ATPase, putative	0.008	0.0182	0.7797
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0092	0.0228	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0098	0.0255	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0311	0.1098	0.3412
Echinococcus granulosus	phospholipid transporting ATPase IIB	0.008	0.0182	0.0506
Trypanosoma cruzi	FHA domain containing protein, putative	0.0092	0.0228	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0074	0.2871
Brugia malayi	hypothetical protein	0.0149	0.0455	0.1431
Onchocerca volvulus		0.008	0.0182	0.6104
Entamoeba histolytica	hypothetical protein	0.0087	0.021	0.1597
Echinococcus granulosus	jumonji domain containing protein	0.0086	0.0207	0.0581
Loa Loa (eye worm)	hypothetical protein	0.0212	0.0708	0.2177
Toxoplasma gondii	heavy metal translocating P-type ATPase subfamily protein	0.008	0.0182	0.7871
Brugia malayi	PHD-finger family protein	0.0062	0.011	0.0347
Brugia malayi	Sodium/potassium-transporting ATPase alpha chain, putative	0.008	0.0182	0.0574
Toxoplasma gondii	haloacid dehalogenase family hydrolase domain-containing protein	0.008	0.0182	0.7871
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0113	0.0294
Echinococcus multilocularis	cation transporting ATPase 13A3	0.008	0.0182	0.0163
Echinococcus granulosus	PHD finger protein rhinoceros	0.0062	0.011	0.0282
Trypanosoma cruzi	P-type H+-ATPase, putative	0.008	0.0182	0.7871
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.002	0.0338
Echinococcus granulosus	dual specificity	0.0087	0.021	0.0591
Schistosoma mansoni	ATPase	0.008	0.0182	0.0515
Brugia malayi	Bromodomain containing protein	0.0062	0.011	0.0347
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.008	0.0182	0.1367
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0087	0.021	0.9109
Echinococcus granulosus	tm gpcr rhodopsin	0.085	0.3238	1
Trypanosoma cruzi	proton motive ATPase 1, putative	0.008	0.0182	0.7871
Trypanosoma brucei	copper-transporting ATPase-like protein, putative	0.008	0.0182	0.7797
Schistosoma mansoni	type V p-type atpase isoform	0.008	0.0182	0.0515
Leishmania major	copper-transporting ATPase-like protein, putative	0.008	0.0182	0.8613
Brugia malayi	latrophilin 2 splice variant baaae	0.0212	0.0708	0.2226
Trypanosoma cruzi	DNA polymerase eta, putative	0.0064	0.012	0.4957
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.008	0.0182	0.0506
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.002	0.0338
Toxoplasma gondii	phospholipid-translocating P-type ATPase, flippase subfamily protein	0.008	0.0182	0.7871
Schistosoma mansoni	hypothetical protein	0.0167	0.0528	0.1609
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.008	0.0182	0.1367
Loa Loa (eye worm)	hypothetical protein	0.008	0.0182	0.0515
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.021	0.9139
Mycobacterium ulcerans	cation-transporter ATPase I CtpI	0.008	0.0182	0.0645
Schistosoma mansoni	transcription factor LCR-F1	0.0149	0.0455	0.1377
Schistosoma mansoni	cation-transporting atpase worm	0.008	0.0182	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0208	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0074	0.0173
Plasmodium falciparum	copper-transporting ATPase	0.008	0.0182	0.7014
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Chlamydia trachomatis	DNA ligase	0.0092	0.0228	1
Trichomonas vaginalis	replication factor C large subunit, putative	0.0092	0.0228	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0062	0.011	0.4536
Mycobacterium tuberculosis	Cation transporter P-type ATPase a CtpA	0.008	0.0182	0.0645
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0087	0.021	1
Schistosoma mansoni	cation-transporting atpase worm	0.008	0.0182	0.0515
Entamoeba histolytica	hypothetical protein	0.0149	0.0455	0.3658
Entamoeba histolytica	cation-transporting P-typeATPase, putative	0.008	0.0182	0.1367
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0149	0.0455	0.0436
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0113	0.0294
Echinococcus granulosus	replication factor c subunit 1	0.0092	0.0228	0.0649
Echinococcus multilocularis	replication factor c subunit 1	0.0092	0.0228	0.0209
Schistosoma mansoni	topbp1	0.0092	0.0228	0.066
Loa Loa (eye worm)	hypothetical protein	0.0064	0.012	0.0316
Echinococcus multilocularis	nibrin	0.0092	0.0228	0.0209
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.1367
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0113	0.0294
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.008	0.0182	0.0645
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.1367
Brugia malayi	hypothetical protein	0.0053	0.0074	0.0234
Schistosoma mansoni	hypothetical protein	0.0149	0.0455	0.1377
Toxoplasma gondii	P-type ATPase4, putative	0.008	0.0182	0.7871
Loa Loa (eye worm)	calcium ATPase	0.008	0.0182	0.0515
Plasmodium falciparum	phd finger protein, putative	0.0062	0.011	0.2336
Trichomonas vaginalis	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.008	0.0182	0.0515
Schistosoma mansoni	topbp1	0.0092	0.0228	0.066
Mycobacterium ulcerans	cation transporter p-type ATPase a CtpA	0.008	0.0182	0.0645
Schistosoma mansoni	eyes absent homolog	0.0835	0.3181	1
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.008	0.0182	0.1367
Mycobacterium ulcerans	metal cation transporter ATPase p-type CtpE	0.008	0.0182	0.0645
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.008	0.0182	0.7014
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0228	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.008	0.0182	0.7797
Loa Loa (eye worm)	E1-E2 ATPase	0.008	0.0182	0.0515
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0203	0.067	0.2021
Loa Loa (eye worm)	MH2 domain-containing protein	0.0367	0.1321	0.4118
Schistosoma mansoni	jumonji domain containing protein	0.0161	0.0505	0.1534
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Leishmania major	proton motive ATPase, putative	0.008	0.0182	0.8613
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.7797
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0039	0.002	0.0338
Leishmania major	calcium-translocating P-type ATPase	0.008	0.0182	0.8613
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0311	0.1098	0.3453
Toxoplasma gondii	P-type ATPase PMA1	0.008	0.0182	0.7871
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0098	0.0255	0.0236
Entamoeba histolytica	phospholipid-transporting P-type ATPase, putative	0.008	0.0182	0.1367
Toxoplasma gondii	haloacid dehalogenase family hydrolase domain-containing protein	0.008	0.0182	0.7871
Loa Loa (eye worm)	hypothetical protein	0.0835	0.3181	1
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0228	1
Echinococcus granulosus	cation transporting ATPase 13A1	0.008	0.0182	0.0506
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0092	0.0228	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0208	0.0596
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0113	0.0294
Brugia malayi	jmjC domain containing protein	0.0075	0.0162	0.051
Giardia lamblia	Phospholipid-transporting ATPase IA, putative	0.008	0.0182	0.1367
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.7797
Mycobacterium ulcerans	cation transporter p-type ATPase D CtpD	0.008	0.0182	0.0645
Entamoeba histolytica	hypothetical protein	0.0092	0.0228	0.1754
Echinococcus multilocularis	phospholipid transporting ATPase IIB	0.008	0.0182	0.0163
Trypanosoma brucei	P-type H+-ATPase, putative	0.008	0.0182	0.7797
Trichomonas vaginalis	phospholipid-transporting ATPase, putative	0.008	0.0182	0.7797
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0113	0.0289
Mycobacterium ulcerans	metal cation-transporting p-type ATPase CtpC	0.008	0.0182	0.0645
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0228	1
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.008	0.0182	0.8613
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0098	0.0255	0.0731
Echinococcus multilocularis	cation transporting atpase worm	0.008	0.0182	0.0163
Leishmania major	P-type H -ATPase, putative	0.008	0.0182	0.8613
Entamoeba histolytica	hypothetical protein	0.0149	0.0455	0.3658
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0228	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.011	0.0287
Trypanosoma cruzi	hypothetical protein, conserved	0.0092	0.0228	1
Treponema pallidum	DNA ligase (lig)	0.0092	0.0228	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0182	0.0515
Trypanosoma brucei	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Leishmania major	P-type H -ATPase, putative	0.008	0.0182	0.8613
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0228	0.066
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0075	0.0162	0.0451
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0092	0.0228	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0098	0.0255	0.0731
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0075	0.0162	0.0451
Brugia malayi	hypothetical protein	0.0092	0.0228	0.0718
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0092	0.0228	0.0827
Leishmania major	DNA polymerase kappa, putative	0.0039	0.002	0.0369
Echinococcus granulosus	cation transporting atpase worm	0.008	0.0182	0.0506
Brugia malayi	hypothetical protein	0.0835	0.3181	1
Trypanosoma cruzi	copper-transporting ATPase-like protein, putative	0.008	0.0182	0.7871
Entamoeba histolytica	hypothetical protein	0.0149	0.0455	0.3658
Echinococcus multilocularis	phosphoserine phosphatase	0.008	0.0182	0.0163
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0098	0.0255	0.0744
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0113	0.0294
Echinococcus multilocularis	lysine specific demethylase 5A	0.0075	0.0162	0.0143
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.7797
Echinococcus multilocularis	geminin	0.0167	0.0528	0.051
Brugia malayi	TAR-binding protein	0.0063	0.0113	0.0354
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0098	0.0255	0.0236
Toxoplasma gondii	cation-transporting atpase family protein	0.008	0.0182	0.7871
Brugia malayi	E1-E2 ATPase family protein	0.008	0.0182	0.0574
Brugia malayi	Latrophilin receptor protein 2	0.0098	0.0255	0.0801
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0087	0.021	0.9139
Loa Loa (eye worm)	jmjC domain-containing protein	0.0075	0.0162	0.0451
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.008	0.0182	0.0515
Echinococcus granulosus	nibrin	0.0092	0.0228	0.0649
Trichomonas vaginalis	cation-transporting ATPase, putative	0.008	0.0182	0.7797
Trypanosoma cruzi	cation-transporting ATPase, putative	0.008	0.0182	0.7871
Toxoplasma gondii	ATPase, AAA family protein	0.0092	0.0228	1
Brugia malayi	MH2 domain containing protein	0.0367	0.1321	0.4154
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0092	0.0228	1
Brugia malayi	Probable cation-transporting ATPase C10C6.6 in chromosome IV	0.008	0.0182	0.0574
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0096	0.0247	0.1912
Leishmania major	DNA polymerase eta, putative	0.0064	0.012	0.5424
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.0675	0.2545	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0203	0.067	0.0652
Brugia malayi	potential phospholipid-transporting ATPase IIB, putative	0.008	0.0182	0.0574
Schistosoma mansoni	hypothetical protein	0.0062	0.011	0.0287
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.008	0.0182	0.7797
Giardia lamblia	Copper-transporting P-type ATPase	0.008	0.0182	0.1367
Schistosoma mansoni	hypothetical protein	0.0098	0.0255	0.0744
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.008	0.0182	0.7797
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.008	0.0182	0.0163
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.008	0.0182	0.0163
Loa Loa (eye worm)	hypothetical protein	0.008	0.0182	0.0515
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0311	0.1098	0.3453
Trypanosoma cruzi	hypothetical protein, conserved	0.0092	0.0228	1
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.008	0.0182	0.7797
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.008	0.0182	0.7871
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0113	0.0294
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0228	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 47 nM	Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay	ChEMBL.	18690677
MIC99 (functional)	> 50 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv in iron-deficient GAST medium after 10 to 14 days by broth dilution method	ChEMBL.	18690677
MIC99 (functional)	> 50 uM	Antitubercular activity against Mycobacterium tuberculosis H37Rv in iron-replete GAST medium after 10 to 14 days by broth dilution method	ChEMBL.	18690677

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: CHEMBL447500

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 958281