TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 553.663 | Formula: C30H33F2N3O3S
H donors: 2 H acceptors: 4 LogP: 4.92 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc2c(c1)CCC(C2Cc1cccnc1)NC(=O)C1CCC(CC1)CNS(=O)(=O)c1ccccc1F
InChi: 1S/C30H33F2N3O3S/c31-24-12-13-25-23(17-24)11-14-28(26(25)16-21-4-3-15-33-18-21)35-30(36)22-9-7-20(8-10-22)19-34-39(37,38)29-6-2-1-5-27(29)32/h1-6,12-13,15,17-18,20,22,26,28,34H,7-11,14,16,19H2,(H,35,36)/t20-,22?,26?,28?
InChiKey: YSNXGFNZCPGGMB-HXPSIMNVSA-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
Entamoeba histolytica	hypothetical protein	0.0021	0.0383	0.9909
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0021	0.0383	0.0255
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0291	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0387	1
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0383	0.4692
Brugia malayi	Bloom's syndrome protein homolog	0.0026	0.0515	0.4107
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0224	0.55
Echinococcus granulosus	GPCR family 2	0.0017	0.0291	0.0161
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0383	0.0255
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0291	0.0852
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0132	0.0894
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0383	0.0255
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1217	1
Echinococcus multilocularis	regulator of G protein signaling	0.0021	0.0383	0.0255
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0387	1
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0383	0.4692
Trypanosoma brucei	unspecified product	0.0014	0.0224	0.55
Echinococcus multilocularis	expressed protein	0.0403	1	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.0132	0.2596
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0006	0.0025	0.0854
Loa Loa (eye worm)	RecQ helicase	0.0026	0.0515	0.1569
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0021	0.0383	0.1148
Schistosoma mansoni	hypothetical protein	0.0037	0.0788	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0132	0.4422
Loa Loa (eye worm)	RGS-3 protein	0.0021	0.0383	0.1148
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Schistosoma mansoni	z-protein (S1r protein)	0.0021	0.0383	0.4692
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0021	0.0383	0.1148
Schistosoma mansoni	hypothetical protein	0.0017	0.0291	0.3483
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0383	0.3005
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0021	0.0383	0.5674
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0387	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0291	0.3483
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0383	0.4692
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0383	0.4692
Brugia malayi	PXA domain containing protein	0.0021	0.0383	0.3005
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0383	0.0255
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0387	0.3034
Entamoeba histolytica	hypothetical protein	0.0021	0.0383	0.9909
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0383	0.0255
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0023	0.0436	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.002	0.0378	0.4616
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0387	0.0258
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0291	0.0852
Loa Loa (eye worm)	PXA domain-containing protein	0.0021	0.0383	0.1148
Trichomonas vaginalis	DNA helicase recq, putative	0.0026	0.0515	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0387	0.579
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0387	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1217	0.3819
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0006	0.0025	0.0854
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0387	0.579
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0387	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0291	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0132	0.0341
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0383	0.4692
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0387	1
Echinococcus multilocularis	bloom syndrome protein	0.0026	0.0515	0.0388
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0383	0.4692
Echinococcus multilocularis	axis inhibition protein axin	0.0021	0.0383	0.0255
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0383	0.4692
Echinococcus granulosus	dna polymerase eta	0.0021	0.0387	0.0258
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.0132	0.0341
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0387	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1217	0.3819
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0383	0.0255
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0387	0.1159
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0387	0.0258
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0021	0.0383	0.3005
Echinococcus multilocularis	regulator of G protein signaling 3	0.0021	0.0383	0.0255
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0387	0.0258
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0291	0.0161
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0006	0.0025	0.0854
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0387	0.4738
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0021	0.0383	0.3005
Echinococcus granulosus	regulator of G protein signaling 3	0.0021	0.0383	0.0255
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1217	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0387	0.1159
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0224	0.55
Entamoeba histolytica	recQ family helicase, putative	0.0014	0.0211	0.5456
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0021	0.0383	0.0255
Schistosoma mansoni	axis inhibition protein axin	0.0021	0.0383	0.4692
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0132	0.1396
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0291	0.0161
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0017	0.0298	1
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0387	0.0258
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0021	0.0383	0.1148
Echinococcus granulosus	Regulator of G protein signaling 20	0.0021	0.0383	0.0255
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0021	0.0383	0.0255
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0387	0.4738
Brugia malayi	hypothetical protein	0.0021	0.0383	0.3005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Echinococcus granulosus	bloom syndrome protein	0.0026	0.0515	0.0388
Brugia malayi	PXA domain containing protein	0.0021	0.0383	0.3005
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0383	0.0255
Brugia malayi	regulator of G-protein signaling egl-10	0.0021	0.0383	0.3005
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0387	1
Leishmania major	DNA polymerase eta, putative	0.0021	0.0387	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0387	0.4738
Trypanosoma brucei	unspecified product	0.0021	0.0387	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0291	0.2231
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0383	0.4692
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0021	0.0383	0.0255
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0387	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0387	1
Entamoeba histolytica	hypothetical protein	0.0021	0.0383	0.9909
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0021	0.0383	0.0255
Trypanosoma brucei	unspecified product	0.0014	0.0224	0.55
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0387	0.3034
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0291	0.2231
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.0383	0.5674
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0211	0.5136
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0387	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0211	0.5136
Schistosoma mansoni	hypothetical protein	0.0017	0.0291	0.3483
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0383	0.1148
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0014	0.0211	0.5136
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0132	0.4422
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0788	0.6404
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0788	0.2446
Brugia malayi	hypothetical protein	0.0021	0.0383	0.3005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0224	0.55
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0383	0.4692
Brugia malayi	regulator of G-protein signaling rgs-7	0.0021	0.0383	0.3005
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0383	0.0255
Schistosoma mansoni	hypothetical protein	0.0017	0.0291	0.3483
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0132	0.1396
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0387	0.5
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0021	0.0383	0.4692
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0132	0.0894
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0387	0.0258
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0018	0.0304	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0291	0.0161
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0383	0.0255
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0021	0.0383	0.4692
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0387	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.0011	0.0132	0.2945
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0387	1
Schistosoma mansoni	serine/threonine protein kinase	0.0021	0.0383	0.4692
Brugia malayi	A-kinase anchor protein 10, precursor	0.0021	0.0383	0.3005
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0387	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0026	0.0515	1
Loa Loa (eye worm)	hypothetical protein	0.0131	0.3145	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0387	0.5
Echinococcus granulosus	axis inhibition protein axin	0.0021	0.0383	0.0255

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 12 nM	Inhibition of [125I]-PYY binding to recombinant NPY Y5 receptor on HEK-293 cell membranes.	ChEMBL.	10669561

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: 293855

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 204314