TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 521.586 | Formula: C27H32FN7O3
H donors: 0 H acceptors: 5 LogP: 5.03 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: Cc1ncn(n1)c1ccc(c(c1)F)Oc1ncnc(c1C)N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C
InChi: 1S/C27H32FN7O3/c1-15-24(34-18-8-20-10-19(34)11-21(9-18)35(20)26(36)38-27(3,4)5)29-13-30-25(15)37-23-7-6-17(12-22(23)28)33-14-31-16(2)32-33/h6-7,12-14,18-21H,8-11H2,1-5H3
InChiKey: UAOJXKOJGNIAGM-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	G protein-coupled receptor 119	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	follicle stimulating hormone receptor	G protein-coupled receptor 119	335 aa	274 aa	22.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Toxoplasma gondii	exonuclease III APE	0.0017	0.0276	0.0162
Loa Loa (eye worm)	fibroinase	0.0015	0.022	0.0151
Schistosoma mansoni	ap endonuclease	0.0017	0.0276	0.0276
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0015	0.022	0.2965
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0133	0.3679	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0742	0.0479
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0276	0.3719
Echinococcus granulosus	dihydrofolate reductase	0.0348	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0742	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1495	0.4064
Plasmodium vivax	vivapain-2	0.0015	0.022	0.0598
Leishmania major	cathepsin L-like protease	0.0059	0.1495	0.3686
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0742	0.0479
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.022	0.022
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0133	0.3679	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0742	0.0677
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0276	0.075
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Onchocerca volvulus		0.0033	0.0742	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Brugia malayi	cathepsin L-like precursor	0.001	0.007	0.007
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0348	1	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Echinococcus granulosus	cathepsin l1	0.001	0.007	0.007
Onchocerca volvulus		0.0033	0.0742	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.007	0.0943
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Brugia malayi	Cathepsin L-like precursor	0.001	0.007	0.007
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0133	0.3679	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0742	0.0479
Onchocerca volvulus		0.0015	0.022	0.2232
Mycobacterium ulcerans	lipase LipD	0.0033	0.0742	0.0479
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0742	0.0479
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0742	0.2017
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trypanosoma cruzi	cysteine peptidase, putative	0.0015	0.022	0.0598
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0015	0.022	0.0598
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0015	0.022	0.022
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0015	0.022	0.0598
Plasmodium vivax	vivapain-2	0.0015	0.022	0.0598
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0133	0.3679	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Onchocerca volvulus		0.0015	0.022	0.2232
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Chlamydia trachomatis	dihydrofolate reductase	0.0348	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trypanosoma cruzi	major cysteine proteinase, putative	0.0046	0.1125	0.3058
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0742	0.0479
Onchocerca volvulus	Cathepsin L homolog	0.0015	0.022	0.2232
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.022	0.7974
Entamoeba histolytica	cysteine protease, putative	0.0015	0.022	0.7974
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0742	0.0479
Brugia malayi	beta-lactamase family protein	0.0033	0.0742	0.0742
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0742	0.0479
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0015	0.022	0.0151
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0015	0.022	0.022
Entamoeba histolytica	cysteine proteinase, putative	0.001	0.007	0.2537
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0015	0.022	0.022
Loa Loa (eye worm)	hypothetical protein	0.0015	0.022	0.0151
Brugia malayi	Cathepsin L-like cysteine proteinase	0.001	0.007	0.007
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0017	0.0276	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0742	0.2017
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0017	0.0276	0.0276
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Schistosoma mansoni	dihydrofolate reductase	0.0348	1	1
Onchocerca volvulus		0.0015	0.022	0.2232
Echinococcus multilocularis	cysteine protease	0.0015	0.022	0.022
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1495	0.4064
Toxoplasma gondii	ABC1 family protein	0.0033	0.0742	0.1509
Loa Loa (eye worm)	cysteine protease	0.0015	0.022	0.0151
Trichomonas vaginalis	esterase, putative	0.0033	0.0742	1
Onchocerca volvulus		0.0015	0.022	0.2232
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0015	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0015	0.022	0.2965
Brugia malayi	Papain family cysteine protease containing protein	0.0015	0.022	0.022
Loa Loa (eye worm)	ctsf protein	0.0015	0.022	0.0151
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0015	0.022	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Echinococcus multilocularis	cathepsin L cysteine protease	0.0015	0.022	0.022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Leishmania major	cathepsin L-like protease	0.0059	0.1495	0.3686
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Schistosoma mansoni	ap endonuclease	0.0017	0.0276	0.0276
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0742	0.0479
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0742	0.0479
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0742	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0133	0.3679	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0017	0.0276	0.0276
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Loa Loa (eye worm)	dihydrofolate reductase	0.0348	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0742	0.0742
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0276	0.075
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0742	1
Brugia malayi	Dihydrofolate reductase	0.0348	1	1
Leishmania major	cathepsin L-like protease	0.0059	0.1495	0.3686
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0742	0.2017
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0742	0.0742
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0742	0.0479
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0348	1	1
Brugia malayi	beta-lactamase	0.0033	0.0742	0.0742
Onchocerca volvulus		0.0015	0.022	0.2232
Trichomonas vaginalis	ap endonuclease, putative	0.0017	0.0276	0.3719
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.1495	0.4064
Echinococcus multilocularis	cathepsin L cysteine protease	0.0015	0.022	0.022
Onchocerca volvulus	Cathepsin F homolog	0.0015	0.022	0.2232
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0133	0.3679	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0742	0.2017
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.022	0.7974
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0742	1
Echinococcus multilocularis	cysteine protease	0.0015	0.022	0.022
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trypanosoma cruzi	cruzipain precursor, putative	0.0059	0.1495	0.4064
Echinococcus granulosus	cathepsin l1	0.0015	0.022	0.022
Echinococcus multilocularis	dihydrofolate reductase	0.0348	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0017	0.0276	0.075
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.1495	0.4064
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Onchocerca volvulus		0.0015	0.022	0.2232
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0742	0.0742
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0348	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0742	0.0742
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0212	0.6	0.5886
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0017	0.0276	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0017	0.0276	0.5
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0742	0.0479
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0017	0.0276	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0742	1
Onchocerca volvulus		0.0033	0.0742	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0017	0.0276	0.075
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0742	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0742	0.0677
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0017	0.0276	0.0207
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0742	0.0677
Brugia malayi	Cathepsin L-like precursor	0.001	0.007	0.007
Leishmania major	hypothetical protein, conserved	0.0033	0.0742	0.1509
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Brugia malayi	beta-lactamase family protein	0.0033	0.0742	0.0742
Onchocerca volvulus		0.0015	0.022	0.2232
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0742	0.0742
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0017	0.0276	0.0162
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0054	0.1345	0.3656
Brugia malayi	Cathepsin L-like precursor	0.0015	0.022	0.022
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.022	0.022
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0742	0.0479
Schistosoma mansoni	cathepsin F (C01 family)	0.001	0.007	0.007
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0017	0.0276	0.0276
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.007	0.0943
Onchocerca volvulus	Cathepsin L homolog	0.0015	0.022	0.2232
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0015	0.022	0.0151
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0015	0.022	0.2965
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.022	0.2965
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0017	0.0276	0.075
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0742	0.0479

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 300 nM	Agonist activity at human GPR119 in HEK293 cells assessed as cAMP accumulation after 30 mins by CRE-beta-lactamase reporter gene assay	ChEMBL.	23234271
Intrinsic activity (functional)	= 64 %	Intrinsic activity at human GPR119 in HEK293 cells assessed as cAMP accumulation after 30 mins by CRE-beta-lactamase reporter gene assay relative to (S)-1-methylcyclopropyl 4-(1-fluoro-2-(2-(2,3,6- trifluorophenyl)acetamido)ethyl)piperidine-1-carboxylate	ChEMBL.	23234271
Ki (binding)	= 507 nM	Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay	ChEMBL.	23234271

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: CHEMBL2312501

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 1740556