TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 381.229 | Formula: C11H14F2N5O6P
H donors: 4 H acceptors: 7 LogP: -2.11 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1[C@H](O)[C@H](OC1n1cnc2c1ncnc2N)COP(=O)(C(F)F)O
InChi: 1S/C11H14F2N5O6P/c12-11(13)25(21,22)23-1-4-6(19)7(20)10(24-4)18-3-17-5-8(14)15-2-16-9(5)18/h2-4,6-7,10-11,19-20H,1H2,(H,21,22)(H2,14,15,16)/t4-,6-,7-,10?/m1/s1
InChiKey: NIPHVIZYCOBCMO-VTHZCTBJSA-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
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0258	0.0258
Entamoeba histolytica	Ran family GTPase	0.0025	0.0171	0.7049
Brugia malayi	beta-lactamase family protein	0.0036	0.0386	0.0901
Toxoplasma gondii	ABC1 family protein	0.0036	0.0386	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1637	0.1637
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0386	0.0386
Schistosoma mansoni	hypothetical protein	0.002	0.007	0.007
Brugia malayi	MIR domain containing protein	0.002	0.007	0.0057
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.0171	0.0228
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0165	0.0654
Brugia malayi	beta-lactamase family protein	0.0036	0.0386	0.0901
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0386	0.0801
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0351	0.1698
Trichomonas vaginalis	mannosyltransferase 1, putative	0.002	0.007	0.0049
Onchocerca volvulus		0.0029	0.0258	0.044
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0386	0.0801
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0386	0.0801
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0386	0.0801
Loa Loa (eye worm)	hypothetical protein	0.0178	0.3252	0.4657
Brugia malayi	RNA, U transporter 1	0.0096	0.1613	0.4184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0695	0.0981
Brugia malayi	Bromodomain containing protein	0.0037	0.0414	0.0978
Leishmania major	hypothetical protein, conserved	0.0025	0.0165	0.1069
Leishmania major	hypothetical protein, conserved	0.0073	0.114	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0046	0.0591	0.0591
Schistosoma mansoni	hypothetical protein	0.0362	0.697	0.697
Echinococcus granulosus	ryanodine receptor 44f	0.0091	0.1504	0.1504
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0171	0.0686
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0386	0.0386
Brugia malayi	hypothetical protein	0.0178	0.3252	0.857
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0386	0.0901
Echinococcus multilocularis	stromal cell derived factor 2	0.002	0.007	0.007
Schistosoma mansoni	stromal cell-derived factor 2 precursor-like protein	0.002	0.007	0.007
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.1637	0.2335
Onchocerca volvulus		0.0232	0.4356	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0386	0.0782
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0049	0.0049
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0034	0.0361	0.0361
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0386	0.0801
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0222	0.0403
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0351	0.8456
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0351	0.1698
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0386	0.5
Plasmodium vivax	SET domain protein, putative	0.0029	0.0258	0.4225
Echinococcus granulosus	stromal cell derived factor 2	0.002	0.007	0.007
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0386	0.0537
Entamoeba histolytica	MIR domain protein	0.002	0.007	0.1226
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0386	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0107	0.0107
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0368	0.0368
Brugia malayi	PHD-finger family protein	0.0024	0.0153	0.028
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0351	0.0351
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0122	0.2121	0.3031
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0049	0.0049
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.037	0.0859
Onchocerca volvulus		0.0036	0.0386	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0462	0.0647
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0127	0.2236	0.5851
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0025	0.0171	0.0259
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0695	0.1729
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0386	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0832	0.0832
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0386	0.0782
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0386	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.4255	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0386	0.3088
Schistosoma mansoni	importin beta-1	0.0034	0.0351	0.0351
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0351	0.8456
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0046	0.0591	0.0591
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0386	0.1888
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0025	0.0171	0.0259
Schistosoma mansoni	zinc finger protein	0.0019	0.0049	0.0049
Echinococcus granulosus	zinc finger protein	0.0019	0.0049	0.0049
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0158	0.2862	0.2862
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0049	0.0049
Brugia malayi	Pre-SET motif family protein	0.0029	0.0258	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1504	0.2144
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0499	0.07
Onchocerca volvulus		0.0178	0.3252	0.7425
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0386	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0386	0.1888
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Brugia malayi	Bromodomain containing protein	0.0072	0.113	0.2893
Brugia malayi	Importin beta-1 subunit	0.0034	0.0351	0.081
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0591	0.0832
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0258	0.4225
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.1637	0.4248
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0362	0.697	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Schistosoma mansoni	ran	0.0025	0.0171	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1047	0.1487
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0049	0.0049
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0386	0.0782
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0258	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0049	0.0053
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0107	0.0107
Echinococcus granulosus	ryanodine receptor 44f	0.0071	0.1093	0.1093
Schistosoma mansoni	hypothetical protein	0.0035	0.037	0.037
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0107	0.1833	1
Brugia malayi	hypothetical protein	0.0025	0.0165	0.0312
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0386	0.0801
Entamoeba histolytica	hypothetical protein	0.0027	0.0222	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0046	0.0591	0.0591
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0171	0.0171
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0386	0.0801
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0416	0.058
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.3787	0.5425
Loa Loa (eye worm)	hypothetical protein	0.0124	0.2169	0.3099
Echinococcus granulosus	dna polymerase eta	0.0019	0.0049	0.0049
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0386	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0695	0.0981
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.1637	0.1637
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0025	0.0171	0.0306
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.007	0.0083
Trichomonas vaginalis	esterase, putative	0.0036	0.0386	0.0782
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1637	0.1637
Mycobacterium ulcerans	lipase LipD	0.0036	0.0386	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0386	0.0537
Leishmania major	GTP-binding protein, putative	0.0025	0.0171	0.1121
Schistosoma mansoni	bromodomain containing protein	0.0061	0.0901	0.0901
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0386	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1637	0.1637
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0165	0.0654
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1757	0.2508
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0025	0.0171	0.0686
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0049	0.0049
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0386	0.0801
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0386	0.0801
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0165	0.0654
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0386	0.1888
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0386	0.0782
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0049	0.0049
Loa Loa (eye worm)	MIR domain-containing protein	0.002	0.007	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0165	0.022
Schistosoma mansoni	ryanodine receptor related	0.0127	0.2236	0.2236
Plasmodium falciparum	importin beta, putative	0.0034	0.0351	1
Echinococcus multilocularis	zinc finger protein	0.0019	0.0049	0.0049
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0049	0.0053
Brugia malayi	Pre-SET motif family protein	0.0204	0.3787	1
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0.0171	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0832	0.0832
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0386	0.0801
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1637	0.1637
Echinococcus multilocularis	ryanodine receptor 44f	0.0071	0.1093	0.1093
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.0171	0.0327
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0107	0.1833	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0386	0.0386
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0222	0.0403
Onchocerca volvulus		0.0036	0.0386	0.0737
Loa Loa (eye worm)	hypothetical protein	0.0035	0.037	0.0514
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.1637	0.1637
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0171	0.0686
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0049	0.0049
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0386	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0351	0.0488
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0104	0.1757	0.1757
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0368	0.0368
Brugia malayi	beta-lactamase	0.0036	0.0386	0.0901
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0222	0.1591
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.1637	0.1637
Echinococcus multilocularis	ryanodine receptor 44f	0.0091	0.1504	0.1504
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0351	0.0351
Trichomonas vaginalis	ran, putative	0.0025	0.0171	0.0284
Schistosoma mansoni	ran	0.0025	0.0171	0.0171
Onchocerca volvulus		0.0036	0.0386	0.0737
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0171	0.0171
Loa Loa (eye worm)	ryanodine receptor	0.0034	0.0361	0.0501
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0386	0.0537
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0237	0.0237
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0222	0.0403
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0222	0.0973
Brugia malayi	cation channel family protein	0.0195	0.3594	0.9483
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0258	0.0258
Echinococcus granulosus	histone lysine methyltransferase setb	0.0046	0.0591	0.0591
Echinococcus multilocularis	snurportin 1	0.0362	0.697	0.697
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0107	0.0107
Echinococcus granulosus	snurportin 1	0.0362	0.697	0.697
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0695	0.1729
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.4356	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	ug ml-1	The compound were evaluated as inhibitor of recombinant HIV-l reverse transcriptase; Not tested	ChEMBL.	No reference
IC50 (binding)	> 400 ug ml-1	Inhibitor of avian myeloblastosis virus AMV reverse transcriptase	ChEMBL.	No reference

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: CHEMBL604027

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 1185284