TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 413.487 | Formula: C22H23NO5S
H donors: 1 H acceptors: 3 LogP: 3.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)C(=O)C1=C(O)C(=O)N(C1c1cccs1)CC1CCCO1
InChi: 1S/C22H23NO5S/c1-2-27-15-9-7-14(8-10-15)20(24)18-19(17-6-4-12-29-17)23(22(26)21(18)25)13-16-5-3-11-28-16/h4,6-10,12,16,19,25H,2-3,5,11,13H2,1H3
InChiKey: FGSUAAQEBOFXEG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Rattus norvegicus	Inositol monophosphatase 1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Trichomonas vaginalis	inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma congolense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania braziliensis	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	Inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania donovani	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Neospora caninum	hypothetical protein	Get druggable targets OG5_126810	All targets in OG5_126810
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania infantum	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Mycobacterium ulcerans	extragenic suppressor protein SuhB	Get druggable targets OG5_126810	All targets in OG5_126810
Entamoeba histolytica	myo-inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	inositol monophosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Leishmania mexicana	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	inositol-1	Get druggable targets OG5_126810	All targets in OG5_126810
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	inositol monophosphatase 1	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	myo inositol monophosphatase, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	Get druggable targets OG5_126810	All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	Get druggable targets OG5_126810	All targets in OG5_126810
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	Get druggable targets OG5_126810	All targets in OG5_126810

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	27.3 %
Loa Loa (eye worm)	hypothetical protein	Inositol monophosphatase 1	277 aa	298 aa	23.8 %
Trichomonas vaginalis	diphosphonucleoside phosphohydrolase, putative	Inositol monophosphatase 1	277 aa	263 aa	21.7 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	258 aa	21.7 %
Onchocerca volvulus	Putative trans-2-enoyl-CoA reductase 1, mitochondrial	Inositol monophosphatase 1	277 aa	278 aa	23.0 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase	Inositol monophosphatase 1	277 aa	230 aa	25.2 %
Dictyostelium discoideum	3',5'-bisphosphate nucleotidase 1	Inositol monophosphatase 1	277 aa	275 aa	22.2 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Onchocerca volvulus		Inositol monophosphatase 1	277 aa	238 aa	22.7 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	306 aa	22.5 %
Onchocerca volvulus	Putative 28S ribosomal protein S10, mitochondrial	Inositol monophosphatase 1	277 aa	271 aa	46.1 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	307 aa	22.5 %
Schistosoma mansoni	pap-inositol-14-phosphatase	Inositol monophosphatase 1	277 aa	279 aa	22.9 %
Trypanosoma brucei gambiense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	309 aa	27.8 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	287 aa	22.3 %
Schistosoma japonicum	ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative	Inositol monophosphatase 1	277 aa	275 aa	21.5 %
Trypanosoma cruzi	inositol polyphosphate 1-phosphatase, putative	Inositol monophosphatase 1	277 aa	291 aa	23.7 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	Inositol monophosphatase family protein	Inositol monophosphatase 1	277 aa	238 aa	21.8 %
Candida albicans	one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt	Inositol monophosphatase 1	277 aa	300 aa	22.0 %
Trichomonas vaginalis	myo inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	276 aa	21.4 %
Trypanosoma congolense	inositol-1(or 4)-monophosphatase, putative	Inositol monophosphatase 1	277 aa	304 aa	28.9 %
Trichomonas vaginalis	inositol monophosphatase, putative	Inositol monophosphatase 1	277 aa	268 aa	22.4 %
Trypanosoma cruzi	myo-inositol-1 phosphatase, putative	Inositol monophosphatase 1	277 aa	284 aa	30.6 %
Entamoeba histolytica	3(2),5-bisphosphate nucleotidase, putative	Inositol monophosphatase 1	277 aa	263 aa	24.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3407	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.004	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Echinococcus granulosus	inositol monophosphatase 1	0.0045	0.2619	0.7686
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0019	0.0738	0.2817
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.004	0.0119
Trichomonas vaginalis	tubulin beta chain, putative	0.0024	0.108	0.2153
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.004	0.0119
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3407	1
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Echinococcus multilocularis	beta tubulin	0.0024	0.108	0.3171
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.2619	0.5219
Brugia malayi	MH2 domain containing protein	0.001	0.004	0.004
Trichomonas vaginalis	tubulin gamma chain, putative	0.0024	0.108	0.2153
Echinococcus granulosus	tubulin subunit beta	0.0024	0.108	0.3171
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0024	0.108	0.3171
Echinococcus multilocularis	beta tubulin	0.0024	0.108	0.3171
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.004	0.0119
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Toxoplasma gondii	beta-tubulin, putative	0.0024	0.108	0.4125
Loa Loa (eye worm)	BEN-1 protein	0.0024	0.108	0.108
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Entamoeba histolytica	hypothetical protein	0.0019	0.0738	0.2817
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Trichomonas vaginalis	tubulin alpha chain, putative	0.0024	0.108	0.2153
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Schistosoma mansoni	Smad4	0.001	0.004	0.0119
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.108	0.3171
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0045	0.2619	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.004	0.004
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Loa Loa (eye worm)	tubulin beta-1 chain	0.0024	0.108	0.108
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.2619	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.108	0.3171
Brugia malayi	Tubulin beta-1 chain	0.0024	0.108	0.108
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Schistosoma mansoni	inositol monophosphatase	0.0045	0.2619	0.7686
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Trichomonas vaginalis	tubulin, putative	0.0024	0.108	0.2153
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.004	0.2272	0.5
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	tubulin beta 1 chain	0.0024	0.108	0.3171
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0077	0.5017	1
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	tubulin beta 4A class IVa	0.0024	0.108	0.3171
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0019	0.0738	0.147
Brugia malayi	MH1 domain containing protein	0.001	0.004	0.004
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0019	0.0738	0.2817
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.3407	0.3407
Trypanosoma brucei	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0024	0.108	0.2153
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.3407	1
Trypanosoma cruzi	beta tubulin, putative	0.0024	0.108	0.4125
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Schistosoma mansoni	smad1 5 8 and	0.001	0.004	0.0119
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.2619	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0045	0.2619	0.5219
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.004	0.2272	0.5
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0019	0.0738	0.147
Giardia lamblia	Beta tubulin	0.0024	0.108	0.2153
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0077	0.5017	1
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Giardia lamblia	Beta tubulin	0.0024	0.108	0.2153
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.004	0.0119
Giardia lamblia	NADPH oxidoreductase, putative	0.0077	0.5017	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0077	0.5017	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Schistosoma mansoni	tubulin subunit beta	0.0024	0.108	0.3171
Plasmodium vivax	tubulin beta chain, putative	0.0024	0.108	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Loa Loa (eye worm)	BEN-1 protein	0.0024	0.108	0.108
Brugia malayi	Smad1	0.001	0.004	0.004
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Schistosoma mansoni	smad1 5 8 and	0.001	0.004	0.0119
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Brugia malayi	MH2 domain containing protein	0.001	0.004	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.004	0.0119
Plasmodium falciparum	tubulin beta chain	0.0024	0.108	1
Toxoplasma gondii	beta tubulin	0.0024	0.108	0.4125
Loa Loa (eye worm)	beta-tubulin	0.0024	0.108	0.108
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	1	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.2619	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0045	0.2619	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.0024	0.108	0.108
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Echinococcus granulosus	Smad4	0.001	0.004	0.0119
Loa Loa (eye worm)	tubulin beta-2A chain	0.0024	0.108	0.108
Brugia malayi	beta-tubulin, identical	0.0024	0.108	0.108
Loa Loa (eye worm)	Smad1	0.001	0.004	0.004
Echinococcus multilocularis	smad	0.001	0.004	0.0119
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.3592	0.7159
Echinococcus multilocularis	tubulin beta 1 chain	0.0024	0.108	0.3171
Entamoeba histolytica	tubulin family protein	0.0024	0.108	0.4125
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3407	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	inositol monophosphatase, putative	0.0045	0.2619	0.5219
Schistosoma mansoni	smad1 5 8 and	0.001	0.004	0.0119
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0045	0.2619	0.5
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0045	0.2619	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0045	0.2619	0.7686
Schistosoma mansoni	smad	0.001	0.004	0.0119
Giardia lamblia	NADPH oxidoreductase, putative	0.0077	0.5017	1
Brugia malayi	MH1 domain containing protein	0.001	0.004	0.004
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.3407	0.3407
Echinococcus granulosus	smad	0.001	0.004	0.0119
Echinococcus granulosus	beta tubulin	0.0024	0.108	0.3171
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Entamoeba histolytica	tubulin family protein	0.0024	0.108	0.4125
Trichomonas vaginalis	conserved hypothetical protein	0.0019	0.0738	0.147
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3407	1
Trypanosoma brucei	beta tubulin	0.0024	0.108	0.4125
Giardia lamblia	Beta tubulin	0.0024	0.108	0.2153
Echinococcus multilocularis	tubulin subunit beta	0.0024	0.108	0.3171
Echinococcus granulosus	beta tubulin	0.0024	0.108	0.3171
Giardia lamblia	NADPH oxidoreductase, putative	0.0077	0.5017	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.3407	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trypanosoma brucei	beta tubulin	0.0024	0.108	0.4125
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.3407	1
Brugia malayi	Inositol-1	0.0045	0.2619	0.2619
Toxoplasma gondii	beta-1 tubulin, putative	0.0024	0.108	0.4125
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0045	0.2619	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.5017	1
Trypanosoma brucei	beta tubulin	0.0024	0.108	0.4125
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.108	0.3171
Loa Loa (eye worm)	tubulin beta chain	0.0024	0.108	0.108
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	1	1
Leishmania major	beta tubulin	0.0024	0.108	0.4125
Echinococcus granulosus	Tubulin beta 2C chain	0.0024	0.108	0.3171
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0024	0.108	0.2153
Loa Loa (eye worm)	inositol-1	0.0045	0.2619	0.2619
Trichomonas vaginalis	modulator of drug activity B, putative	0.0019	0.0738	0.147
Echinococcus multilocularis	Tubulin beta 2C chain	0.0024	0.108	0.3171
Echinococcus multilocularis	Smad4	0.001	0.004	0.0119
Schistosoma mansoni	inositol monophosphatase	0.0045	0.2619	0.7686

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.8913 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	4.4668 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1381792

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1280286