TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 297.269 | Formula: C14H11N5O3
H donors: 3 H acceptors: 3 LogP: 0.03 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1nc[nH]c(=O)c1)N/N=C/1\C(=O)Nc2c1cccc2
InChi: 1S/C14H11N5O3/c20-11-5-8(15-7-16-11)6-12(21)18-19-13-9-3-1-2-4-10(9)17-14(13)22/h1-5,7H,6H2,(H,18,21)(H,15,16,20)(H,17,19,22)
InChiKey: SFRSPQNSURXQPL-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	MET proto-oncogene, receptor tyrosine kinase	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Cation transporter family protein	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Echinococcus granulosus	acetylcholinesterase	0.0134	0.2863	0.284
Echinococcus granulosus	vesicular acetylcholine transporter	0.0437	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0437	1	1
Schistosoma mansoni	plexin	0.0021	0.0205	0.0205
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0025	0.0303	0.0273
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0025	0.0303	0.0303
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0025	0.0303	0.0273
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Schistosoma mansoni	gliotactin	0.0023	0.0246	0.0246
Echinococcus multilocularis	para nitrobenzyl esterase	0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0025	0.0303	0.0303
Brugia malayi	Carboxylesterase family protein	0.0023	0.0246	0.0215
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Echinococcus granulosus	carboxylesterase 5A	0.0134	0.2863	0.284
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0013	0.0032	0.0032
Loa Loa (eye worm)	plexin A	0.0025	0.0295	0.0295
Loa Loa (eye worm)	acetylcholinesterase 1	0.0134	0.2863	0.2863
Onchocerca volvulus		0.0023	0.0246	0.0215
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0167	0.3648	0.3628
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0134	0.2863	0.2863
Onchocerca volvulus		0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0246	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0167	0.3648	0.3628
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.0303	0.0303
Onchocerca volvulus	Putative nachr subunit	0.0167	0.3648	0.3628
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0205	0.0205
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0025	0.0303	0.0303
Echinococcus multilocularis	plexin a4	0.0025	0.0295	0.0264
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0025	0.0303	0.0273
Loa Loa (eye worm)	ACC-1 protein	0.0025	0.0303	0.0303
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0364	0.828	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0023	0.0246	0.0215
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0167	0.3648	0.3628
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0025	0.0303	0.0303
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0303	0.0303
Echinococcus multilocularis	glycine receptor subunit beta	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2863	0.2863
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0013	0.0032	0.0032
Onchocerca volvulus		0.0025	0.0303	0.0273
Onchocerca volvulus		0.0023	0.0246	0.0215
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.2863	0.284
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0167	0.3648	0.3628
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0167	0.3648	0.3628
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0246	0.0246
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0364	0.828	0.8274
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Brugia malayi	Carboxylesterase family protein	0.0134	0.2863	0.284
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0364	0.828	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0023	0.0246	0.5
Echinococcus multilocularis	nAChR subunit	0.0025	0.0303	0.0273
Echinococcus multilocularis	neuroligin	0.0023	0.0246	0.0215
Onchocerca volvulus		0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Mycobacterium ulcerans	carboxylesterase, LipT	0.0023	0.0246	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0186	0.4092	0.4092
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0303	0.0303
Brugia malayi	Cation transporter family protein	0.0025	0.0303	0.0273
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.0303	0.0273
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0025	0.0303	0.0303
Brugia malayi	Carboxylesterase family protein	0.0134	0.2863	0.284
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Trichomonas vaginalis	spcc417.12 protein, putative	0.0023	0.0246	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0246	0.0246
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0246	0.0246
Onchocerca volvulus		0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0167	0.3648	0.3648
Brugia malayi	plexin A	0.0025	0.0295	0.0264
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Echinococcus granulosus	neuroligin	0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0023	0.0246	0.5
Entamoeba histolytica	hypothetical protein	0.0013	0.0032	0.5
Onchocerca volvulus		0.0025	0.0303	0.0273
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0025	0.0303	0.0303
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0437	1	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0167	0.3648	0.3648
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0025	0.0303	0.0273
Leishmania major	C-8 sterol isomerase-like protein	0.0364	0.828	0.5
Brugia malayi	Carboxylesterase family protein	0.0023	0.0246	0.0215
Echinococcus granulosus	para nitrobenzyl esterase	0.0023	0.0246	0.0215
Schistosoma mansoni	vesicular acetylcholine transporter	0.0437	1	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0437	1	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0025	0.0303	0.0273
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Brugia malayi	Carboxylesterase family protein	0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0025	0.0303	0.0273
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0167	0.3648	0.3628
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0134	0.2863	0.2863
Loa Loa (eye worm)	carboxylesterase	0.0134	0.2863	0.2863
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0025	0.0303	0.0273
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.0303	0.0273
Brugia malayi	hypothetical protein	0.0023	0.0246	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Brugia malayi	Plexin repeat family protein	0.0021	0.0205	0.0174
Echinococcus granulosus	acetylcholinesterase	0.0134	0.2863	0.284
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0025	0.0303	0.0273
Onchocerca volvulus		0.0025	0.0303	0.0273
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0025	0.0303	0.0303
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0246	0.0246
Echinococcus granulosus	plexin a4	0.0025	0.0295	0.0264
Onchocerca volvulus		0.0023	0.0246	0.0215
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0023	0.0246	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Onchocerca volvulus		0.0021	0.0205	0.0174
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0023	0.0246	0.0215
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0303	0.0273
Brugia malayi	Cation transporter family protein	0.0025	0.0303	0.0273
Schistosoma mansoni	neurotransmitter gated ion channel	0.0013	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Brugia malayi	Carboxylesterase family protein	0.0023	0.0246	0.0215
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0167	0.3648	0.3628
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0025	0.0303	0.0273
Loa Loa (eye worm)	GABA receptor subunit	0.0013	0.0032	0.0032
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0025	0.0303	0.0273
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0025	0.0303	0.0273
Onchocerca volvulus		0.0025	0.0303	0.0273
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0303	0.0273
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0025	0.0303	0.0273
Echinococcus multilocularis	carboxylesterase 5A	0.0134	0.2863	0.284
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0025	0.0303	0.0273
Echinococcus granulosus	BC026374 protein S09 family	0.0023	0.0246	0.0215
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0025	0.0303	0.0303
Schistosoma mansoni	BC026374 protein (S09 family)	0.0023	0.0246	0.0246
Schistosoma mansoni	acetylcholinesterase	0.0023	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0364	0.828	0.828
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0025	0.0303	0.0273
Echinococcus multilocularis	acetylcholinesterase	0.0134	0.2863	0.284
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0023	0.0246	0.0246
Onchocerca volvulus		0.0025	0.0303	0.0273
Echinococcus granulosus	glycine receptor subunit beta	0.0025	0.0303	0.0273
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0025	0.0303	0.0273
Loa Loa (eye worm)	carboxylesterase	0.0023	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0246	0.0246
Brugia malayi	excitatory GABA receptor EXP-1A	0.0025	0.0303	0.0273
Loa Loa (eye worm)	LGC-31 protein	0.0025	0.0303	0.0303
Echinococcus granulosus	nAChR subunit	0.0025	0.0303	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0025	0.0303	0.0303
Schistosoma mansoni	nAChR subunit	0.0025	0.0303	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0032	0.0032

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5990 nM	Inhibition of human c-MET	ChEMBL.	21641696

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: CHEMBL1822775

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 1039191