TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 468.548 | Formula: C31H24N4O
H donors: 0 H acceptors: 3 LogP: 6.47 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc2c(n1c1ccc(cc1)OCc1cccc(c1)/C=C/c1ccc3c(n1)cccc3)ccnc2
InChi: 1S/C31H24N4O/c1-22-33-30-20-32-18-17-31(30)35(22)27-13-15-28(16-14-27)36-21-24-6-4-5-23(19-24)9-11-26-12-10-25-7-2-3-8-29(25)34-26/h2-20H,21H2,1H3/b11-9+
InChiKey: YMZWYTFVCNGENW-PKNBQFBNSA-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
Cavia porcellus	Platelet activating factor receptor	Starlite/ChEMBL	No references
Cavia porcellus	Cysteinyl leukotriene receptor 1	Starlite/ChEMBL	No 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
Onchocerca volvulus	Programmed cell death protein 5 homolog	Cysteinyl leukotriene receptor 1	340 aa	286 aa	23.8 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	292 aa	20.5 %
Brugia malayi	GnHR receptor homolog	Cysteinyl leukotriene receptor 1	340 aa	317 aa	19.2 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	320 aa	24.7 %
Echinococcus multilocularis	g-protein coupled receptor	Platelet activating factor receptor	342 aa	351 aa	22.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	295 aa	21.7 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	342 aa	19.6 %
Onchocerca volvulus		Cysteinyl leukotriene receptor 1	340 aa	304 aa	22.0 %
Loa Loa (eye worm)	neuropeptide F receptor	Cysteinyl leukotriene receptor 1	340 aa	309 aa	23.0 %
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Platelet activating factor receptor	342 aa	383 aa	23.8 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	321 aa	19.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	319 aa	21.6 %
Echinococcus granulosus	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	22.8 %
Echinococcus multilocularis	neuropeptide receptor	Platelet activating factor receptor	342 aa	303 aa	23.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	340 aa	23.8 %
Onchocerca volvulus		Cysteinyl leukotriene receptor 1	340 aa	303 aa	21.1 %
Loa Loa (eye worm)	hypothetical protein	Platelet activating factor receptor	342 aa	355 aa	22.5 %
Echinococcus granulosus	g-protein coupled receptor	Platelet activating factor receptor	342 aa	352 aa	22.2 %
Onchocerca volvulus	E3 ubiquitin-protein ligase rpm-1 homolog	Cysteinyl leukotriene receptor 1	340 aa	313 aa	21.4 %
Echinococcus granulosus	neuropeptide receptor	Platelet activating factor receptor	342 aa	304 aa	23.4 %
Echinococcus granulosus	tachykinin peptides receptor 99D	Platelet activating factor receptor	342 aa	314 aa	21.3 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	394 aa	20.3 %
Schistosoma mansoni	opsin-like receptor	Platelet activating factor receptor	342 aa	318 aa	21.7 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	283 aa	20.5 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	338 aa	24.9 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	300 aa	21.0 %
Echinococcus multilocularis	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	23.4 %
Echinococcus granulosus	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Schistosoma mansoni	neuropeptide F-like receptor	Platelet activating factor receptor	342 aa	325 aa	22.2 %
Onchocerca volvulus		Cysteinyl leukotriene receptor 1	340 aa	298 aa	21.5 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Platelet activating factor receptor	342 aa	344 aa	25.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	327 aa	21.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	jmjC domain containing protein	0.0073	0.0195	0.0195
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0092	0.0092
Plasmodium vivax	hypothetical protein, conserved	0.006	0.0126	0.1022
Echinococcus multilocularis	PHD finger protein rhinoceros	0.006	0.0126	0.0126
Echinococcus multilocularis	geminin	0.0164	0.0694	0.0694
Plasmodium falciparum	purine nucleoside phosphorylase	0.0262	0.1233	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0262	0.1233	1
Giardia lamblia	UPL-1	0.0262	0.1233	1
Mycobacterium tuberculosis	Hypothetical protein	0.0262	0.1233	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.0195	0.0195
Echinococcus multilocularis	peregrin	0.006	0.0126	0.0126
Echinococcus granulosus	PHD finger protein rhinoceros	0.006	0.0126	0.0126
Schistosoma mansoni	hypothetical protein	0.0164	0.0694	0.0694
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.0266	0.0266
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0092	0.0092
Treponema pallidum	pfs protein (pfs)	0.0262	0.1233	0.5
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0262	0.1233	1
Onchocerca volvulus		0.0086	0.0266	0.216
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0058	0.0115	0.0934
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.0266	0.0266
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Schistosoma mansoni	hypothetical protein	0.006	0.0126	0.0126
Schistosoma mansoni	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0197	0.0876	0.0876
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.009	0.0291	0.0291
Loa Loa (eye worm)	jmjC domain-containing protein	0.0124	0.0477	0.0477
Echinococcus granulosus	lysine specific demethylase 5A	0.0073	0.0195	0.0195
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0262	0.1233	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.0262	0.1233	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0262	0.1233	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.009	0.0291	0.0291
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.0195	0.0195
Leishmania major	nucleoside phosphorylase-like protein	0.0262	0.1233	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0262	0.1233	0.1233
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0092	0.0092
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0042	0.0025	0.0205
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0262	0.1233	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0262	0.1233	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0195	0.0195
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0262	0.1233	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0092	0.0092
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0262	0.1233	1
Onchocerca volvulus	Alhambra homolog	0.006	0.0126	0.1022
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0262	0.1233	0.1233
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.0266	0.0266
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus granulosus	jumonji domain containing protein	0.0084	0.0255	0.0255
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0262	0.1233	1
Toxoplasma gondii	phosphorylase family protein	0.0262	0.1233	1
Trypanosoma brucei	uridine phosphorylase	0.0262	0.1233	1
Brugia malayi	jmjC domain containing protein	0.0197	0.0876	0.0876
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus multilocularis	lysine specific demethylase 5A	0.0073	0.0195	0.0195
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0262	0.1233	1
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0078	0.0225	0.1826
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0197	0.0876	0.0876
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.009	0.0291	0.0291
Trichomonas vaginalis	conserved hypothetical protein	0.0262	0.1233	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0262	0.1233	0.1233
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.0262	0.1233	0.1233
Toxoplasma gondii	phosphorylase family protein	0.0262	0.1233	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0262	0.1233	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus granulosus	uridine phosphorylase 1	0.1862	1	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0058	0.0115	0.0934
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0092	0.0092
Schistosoma mansoni	uridine phosphorylase	0.1862	1	1
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0262	0.1233	0.1233
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0262	0.1233	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.006	0.0126	0.0126
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0262	0.1233	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0092	0.0092
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0262	0.1233	0.1233
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0126	0.1022
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0082	0.0246	0.1996
Loa Loa (eye worm)	hypothetical protein	0.006	0.0126	0.0126
Echinococcus granulosus	peregrin	0.006	0.0126	0.0126
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0262	0.1233	1
Echinococcus granulosus	geminin	0.0164	0.0694	0.0694
Brugia malayi	PHD-finger family protein	0.006	0.0126	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0266	0.0266
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0262	0.1233	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus multilocularis	jumonji domain containing protein	0.0084	0.0255	0.0255
Trichomonas vaginalis	conserved hypothetical protein	0.0262	0.1233	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Loa Loa (eye worm)	uridine phosphorylase	0.1862	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0156	0.0654	0.0654
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0361	0.0361
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0262	0.1233	0.5
Mycobacterium leprae	probable uridine phosphorylase	0.1862	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0262	0.1233	0.1233
Schistosoma mansoni	hypothetical protein	0.0164	0.0694	0.0694
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0262	0.1233	0.1233
Loa Loa (eye worm)	PHD-finger family protein	0.006	0.0126	0.0126
Schistosoma mansoni	uridine phosphorylase	0.1862	1	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Echinococcus multilocularis	uridine phosphorylase 1	0.1862	1	1
Brugia malayi	MTAP	0.0262	0.1233	0.1233
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0262	0.1233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0092	0.0092
Brugia malayi	Bromodomain containing protein	0.006	0.0126	0.0126
Entamoeba histolytica	hypothetical protein	0.0262	0.1233	1
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0082	0.0246	0.1996
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.0266	0.0266
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0262	0.1233	1
Treponema pallidum	uridine phosphorylase (udp)	0.0262	0.1233	0.5
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0058	0.0115	0.0934
Toxoplasma gondii	PHD-finger domain-containing protein	0.006	0.0126	0.1022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0092	0.0092
Chlamydia trachomatis	AMP nucleosidase	0.0262	0.1233	0.5
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.1096	0.8891
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.009	0.0291	0.0291
Echinococcus granulosus	purine nucleoside phosphorylase	0.0262	0.1233	0.1233
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0092	0.0092
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0262	0.1233	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0262	0.1233	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 29 nM	Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets	ChEMBL.	No reference
Ki (binding)	= 29 nM	Displacement of [3H]-ligand from platelet activating factor (PAF) receptor in rabbit platelets	ChEMBL.	No reference
Ki (binding)	= 73 nM	Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes	ChEMBL.	No reference
Ki (binding)	= 73 nM	Displacement of [3H]-leukotriene D4 (LTD4) from receptor in guinea pig lung membranes	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: CHEMBL28595

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 39105