TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 426.47 | Formula: C24H22N6O2
H donors: 3 H acceptors: 4 LogP: 3.9 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CNc1nccc(n1)c1cccnc1Oc1ccc(cc1C)NC(=O)Nc1ccccc1
InChi: 1S/C24H22N6O2/c1-16-15-18(29-24(31)28-17-7-4-3-5-8-17)10-11-21(16)32-22-19(9-6-13-26-22)20-12-14-27-23(25-2)30-20/h3-15H,1-2H3,(H,25,27,30)(H2,28,29,31)
InChiKey: SNOXVTGWCWHMIO-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	TEK tyrosine kinase, endothelial	Starlite/ChEMBL	References
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320

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
Schistosoma mansoni	cell adhesion molecule	0.0011	0.017	0.0665
Loa Loa (eye worm)	beta-lactamase	0.0035	0.1282	0.1561
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0252	0.1149
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0555	0.0676
Brugia malayi	TAR-binding protein	0.0062	0.2561	0.3117
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0119	0.0146
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0252	0.0307
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1282	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2393	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.1282	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0555	0.0676
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0008	0.0037	0.0144
Schistosoma mansoni	DNA helicase recq5	0.0019	0.0555	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0184	0.8216	1
Echinococcus granulosus	roundabout 2	0.0011	0.017	0.0665
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2393	0.9345
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0252	0.0307
Echinococcus granulosus	roundabout 2	0.0022	0.0693	0.2706
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0559	0.2185
Echinococcus granulosus	twitchin	0.0014	0.0321	0.1253
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.2393	0.198
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0389	0.0474
Echinococcus granulosus	contactin	0.0011	0.017	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0187	0.0228
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.0555	0.0521
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0515	0.3408
Giardia lamblia	Sgs1 DNA helicase, putative	0.0019	0.0555	1
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0187	0.0731
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0184	0.8216	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0389	0.0474
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0515	0.3508
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0555	0.0676
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1282	1
Onchocerca volvulus	Tyrosine kinase homolog	0.0172	0.7656	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0515	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2561	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2561	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0555	0.1415
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1282	0.5008
Echinococcus multilocularis	roundabout 2	0.0022	0.0693	0.2706
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Echinococcus granulosus	roundabout 2	0.0011	0.017	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0083	0.0101
Schistosoma mansoni	nephrin	0.0018	0.0523	0.2041
Echinococcus multilocularis	neuroglian	0.0014	0.0321	0.1253
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0515	0.3504
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0008	0.0037	0.0045
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2393	0.9345
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0555	0.1981
Echinococcus granulosus	neuroglian	0.0011	0.017	0.0665
Brugia malayi	RNA binding protein	0.0062	0.2561	0.3117
Schistosoma mansoni	cell adhesion molecule	0.0011	0.017	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0491	0.0598
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.1282	0.4812
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.1282	0.0809
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.2561	0.3117
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0515	0.3408
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.1282	0.5008
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0515	0.2012
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0187	0.0731
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0187	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.1281	0.5004
Schistosoma mansoni	neuroglian	0.0011	0.017	0.0665
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.1282	0.0809
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0016	0.0389	0.0474
Echinococcus multilocularis	roundabout 2	0.0011	0.017	0.0665
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1282	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.0555	0.0521
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.017	0.0207
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.2393	0.9345
Loa Loa (eye worm)	hypothetical protein	0.0011	0.017	0.0207
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.017	0.0207
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.1282	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Brugia malayi	hypothetical protein	0.0016	0.0389	0.0474
Echinococcus multilocularis	roundabout 2	0.0011	0.017	0.0665
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0008	0.0037	0.0045
Leishmania major	hypothetical protein, conserved	0.0035	0.1282	0.4812
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.0555	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0491	0.0598
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.1282	0.0809
Entamoeba histolytica	hypothetical protein	0.0035	0.1281	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.1282	0.5154
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.0555	0.2168
Brugia malayi	Bloom's syndrome protein homolog	0.0019	0.0555	0.0676
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.1281	0.5004
Brugia malayi	beta-lactamase family protein	0.0035	0.1282	0.1561
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0011	0.0187	0.0731
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0515	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0119	0.0463
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2561	1
Mycobacterium leprae	Probable lipase LipE	0.0035	0.1282	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0119	0.0144
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.2561	0.3117
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.0555	0.0676
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2393	1
Brugia malayi	Fibronectin type III domain containing protein	0.0016	0.0389	0.0474
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.1282	0.1561
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0011	0.017	0.0665
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.1282	0.0809
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.1282	0.4812
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0011	0.017	0.0207
Schistosoma mansoni	tyrosine kinase	0.0009	0.0075	0.0294
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0515	0.0627
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2561	1
Loa Loa (eye worm)	CYP4Cod1	0.0013	0.0252	0.0307
Echinococcus granulosus	defective proboscis extension response	0.0011	0.0187	0.0731
Entamoeba histolytica	hypothetical protein	0.0035	0.1281	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.1282	0.5008
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.2393	0.9345
Brugia malayi	hypothetical protein	0.0035	0.1281	0.1559
Schistosoma mansoni	ap endonuclease	0.0018	0.0515	0.2012
Schistosoma mansoni	nephrin	0.0011	0.017	0.0665
Trichomonas vaginalis	DNA helicase recq1, putative	0.0019	0.0555	0.0521
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.1282	0.5008
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.2561	0.3117
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0515	0.0627
Onchocerca volvulus		0.0035	0.1282	0.1675
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.2393	1
Schistosoma mansoni	DNA helicase recq1	0.0019	0.0555	0.2168
Onchocerca volvulus		0.0035	0.1282	0.1675
Loa Loa (eye worm)	RNA binding protein	0.0062	0.2561	0.3117
Echinococcus granulosus	neuroglian	0.0014	0.0321	0.1253
Echinococcus multilocularis	neuroglian	0.0011	0.017	0.0665
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0555	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.0555	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0358	0.0435
Mycobacterium ulcerans	beta-lactamase	0.0035	0.1282	0.4812
Echinococcus granulosus	bloom syndrome protein	0.0019	0.0555	0.2168
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0515	0.1228
Loa Loa (eye worm)	RecQ helicase	0.0019	0.0555	0.0676
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0187	0.0228
Mycobacterium ulcerans	hypothetical protein	0.0035	0.1282	0.4812
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0187	0.0731
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0515	0.2012
Schistosoma mansoni	hypothetical protein	0.0035	0.1281	0.5004
Entamoeba histolytica	recQ family helicase, putative	0.0019	0.0555	0.3847
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.1282	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0515	0.2552
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.1282	0.0809
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.1282	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0389	0.0474
Echinococcus multilocularis	bloom syndrome protein	0.0019	0.0555	0.2168
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0187	0.0731
Onchocerca volvulus		0.0035	0.1282	0.1675
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1282	0.0809
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0555	0.294
Entamoeba histolytica	hypothetical protein	0.0035	0.1281	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0515	0.1228
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0555	0.3751
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.2393	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.017	0.0207
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0555	0.1981
Mycobacterium ulcerans	lipase LipD	0.0035	0.1282	0.4812
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0011	0.017	0.0665
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.1282	0.1561
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.1282	0.0809
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0019	0.0555	1
Brugia malayi	Cytochrome P450 family protein	0.0013	0.0252	0.0307
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0008	0.0037	0.0144
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0358	0.1397
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.2561	1
Onchocerca volvulus		0.0167	0.7416	0.9686
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0011	0.017	0.0665
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1282	1
Brugia malayi	beta-lactamase	0.0035	0.1282	0.1561
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0011	0.017	0.0207
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.2561	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0119	0.0075
Loa Loa (eye worm)	hypothetical protein	0.001	0.0119	0.0144
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0011	0.017	0.0665
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0011	0.017	0.0665
Trichomonas vaginalis	esterase, putative	0.0035	0.1282	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0119	0.0146
Brugia malayi	beta-lactamase family protein	0.0035	0.1282	0.1561
Entamoeba histolytica	hypothetical protein	0.0035	0.1281	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0187	0.0731
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.1282	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.0515	0.1806
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2393	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0011	0.017	0.0665
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.0555	0.2168
Schistosoma mansoni	ap endonuclease	0.0018	0.0515	0.2012
Schistosoma mansoni	blooms syndrome DNA helicase	0.0009	0.0101	0.0396
Echinococcus granulosus	tar DNA binding protein	0.0062	0.2561	1
Trypanosoma cruzi	cytochrome P450, putative	0.0013	0.0252	0.1149
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.1281	0.5004
Loa Loa (eye worm)	cytochrome P450 family protein	0.0013	0.0252	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1282	0.1561
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1282	0.0809
Mycobacterium tuberculosis	Conserved protein	0.0035	0.1282	0.0809
Echinococcus granulosus	Immunoglobulin	0.0011	0.0187	0.0731
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.1282	0.5
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.1282	0.0809

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 460 nM	Inhibition of Tie2	ChEMBL.	19062275
IC50 (binding)	= 7600 nM	Inhibition of KDR	ChEMBL.	19062275

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: CHEMBL517559

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 1012693