TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 300.258 | Formula: C9H8F3O2PS2
H donors: 0 H acceptors: 0 LogP: 4.11 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: S=P1(OCCS1)Oc1ccc(cc1)C(F)(F)F
InChi: 1S/C9H8F3O2PS2/c10-9(11,12)7-1-3-8(4-2-7)14-15(16)13-5-6-17-15/h1-4H,5-6H2
InChiKey: DUXQQEYWDSFXFB-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.0187	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0088	0.0088
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.0187	1
Onchocerca volvulus		0.0578	0.1626	1
Loa Loa (eye worm)	MBCTL1	0.0056	0.0088	0.0088
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0089	0.0187	1
Loa Loa (eye worm)	carboxylesterase	0.0578	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.3422	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0578	0.1626	0.1574
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0578	0.1626	0.1574
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.3422	1	1
Leishmania major	UDP-galactopyranose mutase	0.0089	0.0187	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0	0.5
Schistosoma mansoni	gliotactin	0.0578	0.1626	0.1574
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0578	0.1626	0.1574
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1268	0.3658	1
Echinococcus granulosus	neuroligin	0.0578	0.1626	0.1574
Loa Loa (eye worm)	carboxylesterase	0.0578	0.1626	0.1626
Echinococcus granulosus	muscleblind protein	0.0149	0.0361	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0109	0.0245	0.0245
Echinococcus multilocularis	acetylcholinesterase	0.3422	1	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0068	0.0006
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0089	0.0187	0.5
Schistosoma mansoni	amine oxidase	0.0089	0.0187	0.0126
Schistosoma mansoni	hypothetical protein	0.0298	0.08	0.0743
Echinococcus multilocularis		0.0089	0.0187	0.0126
Schistosoma mansoni	BC026374 protein (S09 family)	0.0578	0.1626	0.1574
Brugia malayi	Carboxylesterase family protein	0.3422	1	1
Onchocerca volvulus		0.0578	0.1626	1
Echinococcus granulosus	carboxylesterase 5A	0.3422	1	1
Echinococcus multilocularis	neuroligin	0.0578	0.1626	0.1574
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0073	0.0011
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0056	0.0088	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0068	0.0006
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0068	0.0006
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0073	0.0073
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0068	0.0006
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.016	0.0394	0.0394
Onchocerca volvulus		0.0089	0.0187	0.0762
Loa Loa (eye worm)	hypothetical protein	0.016	0.0394	0.0394
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0089	0.0187	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0073	0.0011
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0056	0.0088	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0361	0.0361
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.016	0.0394	0.0394
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0089	0.0187	0.0126
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0068	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0068	0.0068
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0068	0.0068
Brugia malayi	amine oxidase, flavin-containing family protein	0.0089	0.0187	0.0187
Echinococcus granulosus	BC026374 protein S09 family	0.0578	0.1626	0.1574
Schistosoma mansoni	hypothetical protein	0.0109	0.0245	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0578	0.1626	0.1574
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0073	0.0011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0062	0.0062
Echinococcus granulosus	histone acetyltransferase MYST2	0.0056	0.0088	0.0026
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0578	0.1626	0.1574
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0056	0.0088	0.0026
Brugia malayi	mbt repeat family protein	0.0049	0.0068	0.0068
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0073	0.0011
Schistosoma mansoni	acetylcholinesterase	0.0578	0.1626	0.1574
Echinococcus multilocularis	para nitrobenzyl esterase	0.0578	0.1626	0.1574
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0073	0.0073
Echinococcus multilocularis	carboxylesterase 5A	0.3422	1	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0073	0.0011
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0578	0.1626	0.5
Schistosoma mansoni	hypothetical protein	0.0051	0.0073	0.0011
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0056	0.0088	0.0088
Brugia malayi	mbt repeat family protein	0.0049	0.0068	0.0068
Onchocerca volvulus		0.0578	0.1626	1
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.1179	0.3395	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0068	0.0006
Brugia malayi	Carboxylesterase family protein	0.0578	0.1626	0.1626
Brugia malayi	Muscleblind-like protein	0.0149	0.0361	0.0361
Plasmodium vivax	hypothetical protein, conserved	0.0089	0.0187	1
Schistosoma mansoni	amine oxidase	0.0089	0.0187	0.0126
Trichomonas vaginalis	spcc417.12 protein, putative	0.0578	0.1626	0.5
Onchocerca volvulus		0.0578	0.1626	1
Echinococcus granulosus	acetylcholinesterase	0.3422	1	1
Brugia malayi	hypothetical protein	0.0578	0.1626	0.1626
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Brugia malayi	Carboxylesterase family protein	0.0578	0.1626	0.1626
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0193	0.0492	0.0433
Echinococcus multilocularis	acetylcholinesterase	0.3422	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.1268	0.3658	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0068	0.0006
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0578	0.1626	0.1574
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0089	0.0187	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0073	0.0073
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0056	0.0088	0.0026
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0089	0.0187	0.0126
Loa Loa (eye worm)	acetylcholinesterase 1	0.3422	1	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0578	0.1626	0.4147
Brugia malayi	Calcitonin receptor-like protein seb-1	0.016	0.0394	0.0394
Brugia malayi	latrophilin 2 splice variant baaae	0.0109	0.0245	0.0245
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0578	0.1626	0.4487
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0578	0.1626	0.1574
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0578	0.1626	0.4487
Echinococcus granulosus	GPCR family 2	0.0051	0.0073	0.0011
Brugia malayi	Carboxylesterase family protein	0.0578	0.1626	0.1626
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0578	0.1626	0.4487
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0089	0.0187	1
Echinococcus granulosus	acetylcholinesterase	0.3422	1	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0073	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Brugia malayi	SWIRM domain containing protein	0.0089	0.0187	0.0187
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Echinococcus multilocularis	muscleblind protein	0.0149	0.0361	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Toxoplasma gondii	histone lysine-specific demethylase	0.0089	0.0187	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0187	0.0187
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.0361	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Loa Loa (eye worm)	carboxylesterase	0.3422	1	1
Onchocerca volvulus		0.0578	0.1626	1
Loa Loa (eye worm)	hypothetical protein	0.3422	1	1
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0089	0.0187	0.0126
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0089	0.0187	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0578	0.1626	0.1574
Loa Loa (eye worm)	hypothetical protein	0.0578	0.1626	0.1626
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0073	0.0073
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0089	0.0187	0.0126
Brugia malayi	Carboxylesterase family protein	0.0578	0.1626	0.1626
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0193	0.0492	0.0433
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0089	0.0187	0.5
Plasmodium falciparum	protoporphyrinogen oxidase	0.0089	0.0187	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0062	0.0062
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.0089	0.0187	0.0126
Brugia malayi	hypothetical protein	0.0089	0.0187	0.0187
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0073	0.0011
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0089	0.0187	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0361	0.0361
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.0089	0.0187	0.0126
Schistosoma mansoni	hypothetical protein	0.0051	0.0073	0.0011

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 64 uM	Antimalarial activity against Plasmodium falciparum 3D7 infected in O positive erythrocytes assessed as parasite lactate dehydrogenase activity after 72 hrs	ChEMBL.	23659857

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: CHEMBL2391950

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 1779925