TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.404 | Formula: C22H17N5
H donors: 2 H acceptors: 3 LogP: 5.01 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)c1[nH]c2c(n1)ccc(c2)Nc1ncnc2c1cccc2
InChi: 1S/C22H17N5/c1-14-5-4-6-15(11-14)21-26-19-10-9-16(12-20(19)27-21)25-22-17-7-2-3-8-18(17)23-13-24-22/h2-13H,1H3,(H,26,27)(H,23,24,25)
InChiKey: WFXWCDVGMKXBOR-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	kinase insert domain receptor	Starlite/ChEMBL	References
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320
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
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
Chlamydia trachomatis	ribonuclease III	0.0023	0.0224	0.5
Brugia malayi	Probable ATP-dependent RNA helicase A	0.0023	0.0224	0.0825
Echinococcus granulosus	Dosage compensation regulator	0.0023	0.0224	0.9042
Trypanosoma cruzi	Eukaryotic translation initiation factor 2-alpha kinase 2	0.0655	0.9955	0.9954
Schistosoma mansoni	hypothetical protein	0.0009	0.0002	0.0097
Schistosoma mansoni	ribonuclease III	0.0023	0.0224	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0224	0.0825
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0041	0.1579
Echinococcus granulosus	neuroglian	0.0014	0.0085	0.3376
Schistosoma mansoni	hypothetical protein	0.0023	0.0224	1
Brugia malayi	FHA domain containing protein	0.0023	0.0224	0.0825
Schistosoma mansoni	nephrin	0.0014	0.0085	0.3795
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Treponema pallidum	ribonuclease III (rnc)	0.0023	0.0224	0.5
Schistosoma mansoni	tRNA-dihydrouridine synthase	0.0023	0.0224	1
Mycobacterium leprae	PROBABLE RIBONUCLEASE III RNC (RNASE III)	0.0023	0.0224	0.5
Brugia malayi	hypothetical protein	0.0011	0.0041	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0224	0.0825
Onchocerca volvulus	Tyrosine kinase homolog	0.0172	0.251	1
Onchocerca volvulus		0.0023	0.0224	0.0886
Echinococcus granulosus	Immunoglobulin	0.0011	0.0041	0.1579
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Loa Loa (eye worm)	RNase3 domain-containing protein	0.0023	0.0224	0.0825
Plasmodium vivax	serine/threonine protein kinase, putative	0.0658	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Brugia malayi	FHA domain containing protein	0.0023	0.0224	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Echinococcus multilocularis	roundabout 2	0.0018	0.0142	0.5671
Onchocerca volvulus	Kanadaptin homolog	0.0023	0.0224	0.0886
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0015	0.0097	0.3873
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0189	0.0694
Loa Loa (eye worm)	double-stranded RNA binding domain-containing protein family protein	0.0023	0.0224	0.0825
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0041	0.1826
Trypanosoma cruzi	Eukaryotic translation initiation factor 2-alpha kinase 2	0.0658	1	1
Echinococcus granulosus	microprocessor complex subunit DGCR8	0.0023	0.0224	0.9042
Brugia malayi	Fibronectin type III domain containing protein	0.0011	0.0041	0.0144
Echinococcus multilocularis	Dosage compensation regulator	0.0023	0.0224	0.9042
Schistosoma mansoni	hypothetical protein	0.0012	0.0055	0.2449
Schistosoma mansoni	tar rna binding protein (trbp)	0.0023	0.0224	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0184	0.2696	1
Schistosoma mansoni	ribonuclease III	0.0023	0.0224	1
Trypanosoma cruzi	Eukaryotic translation initiation factor 2-alpha kinase 2	0.0658	1	1
Onchocerca volvulus		0.0021	0.0189	0.0746
Trichomonas vaginalis	STE family protein kinase	0.0658	1	0.5
Echinococcus multilocularis	neuroglian	0.0014	0.0085	0.3376
Brugia malayi	dihydrouridine synthase domain containing protein	0.0023	0.0224	0.0825
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0184	0.2696	1
Echinococcus multilocularis	plexin a4	0.0025	0.0248	1
Echinococcus multilocularis	ribonuclease III	0.0023	0.0224	0.9042
Echinococcus multilocularis	Interferon inducible double stranded	0.0023	0.0224	0.9042
Echinococcus multilocularis	tRNA dihydrouridine synthase 2	0.0023	0.0224	0.9042
Echinococcus granulosus	defective proboscis extension response	0.0011	0.0041	0.1579
Schistosoma mansoni	cell adhesion molecule	0.0015	0.0097	0.4339
Brugia malayi	plexin A	0.0025	0.0248	0.0913
Schistosoma mansoni	semaphorin 5-related	0.0009	0.0002	0.0097
Echinococcus granulosus	ribonuclease III	0.0023	0.0224	0.9042
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0011	0.0041	0.1579
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Loa Loa (eye worm)	plexin A	0.0025	0.0248	0.0913
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0041	0.1579
Echinococcus multilocularis	microprocessor complex subunit DGCR8	0.0023	0.0224	0.9042
Schistosoma mansoni	plexin	0.0021	0.0189	0.8429
Mycobacterium ulcerans	ribonuclease III	0.0023	0.0224	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0041	0.1826
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0055	0.0196
Brugia malayi	hypothetical protein	0.0023	0.0224	0.0825
Schistosoma mansoni	hypothetical protein	0.0009	0.0002	0.0097
Brugia malayi	Double-stranded RNA binding motif family protein	0.0023	0.0224	0.0825
Schistosoma mansoni	plexin	0.0012	0.0055	0.2449
Echinococcus granulosus	roundabout 2	0.0018	0.0142	0.5671
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0224	0.0825
Brugia malayi	FHA domain containing protein	0.0023	0.0224	0.0825
Onchocerca volvulus		0.0167	0.2435	0.9698
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0097	0.0354
Brugia malayi	RNase3 domain containing protein	0.0023	0.0224	0.0825
Onchocerca volvulus		0.0023	0.0224	0.0886
Brugia malayi	Double-stranded RNA binding motif family protein	0.0023	0.0224	0.0825
Echinococcus multilocularis	Double stranded RNA binding	0.0023	0.0224	0.9042
Trypanosoma brucei	eukaryotic translation initiation factor 2-alpha kinase 2	0.0658	1	1
Loa Loa (eye worm)	FHA domain-containing protein	0.0023	0.0224	0.0825
Wolbachia endosymbiont of Brugia malayi	ribonuclease III	0.0023	0.0224	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0041	0.0144
Echinococcus granulosus	twitchin	0.0017	0.013	0.5214
Echinococcus granulosus	Interferon inducible double stranded	0.0023	0.0224	0.9042
Loa Loa (eye worm)	dihydrouridine synthase domain-containing protein	0.0023	0.0224	0.0825
Echinococcus granulosus	tRNA dihydrouridine synthase 2	0.0023	0.0224	0.9042
Mycobacterium tuberculosis	Probable ribonuclease III Rnc (RNase III)	0.0023	0.0224	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0011	0.0041	0.0144
Trichomonas vaginalis	AGC family protein kinase	0.0658	1	0.5
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0041	0.1826
Echinococcus granulosus	plexin a4	0.0025	0.0248	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0142	0.0518
Brugia malayi	Plexin repeat family protein	0.0021	0.0189	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0142	0.0518
Schistosoma mansoni	ATP-dependent RNA Helicase	0.0023	0.0224	1
Schistosoma mansoni	hypothetical protein	0.0023	0.0224	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0009	0.0014	0.0043

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.57 uM	Inhibition of human recombinant VEGFR2 pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay	ChEMBL.	25082515
IC50 (binding)	= 8.8 uM	Inhibition of human recombinant c-Met pre-incubated for 5 mins before ATP/substrate peptide cocktail addition measured after 30 mins by colorimetric ELISA assay	ChEMBL.	25082515
IC50 (functional)	= 85.7 uM	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	ChEMBL.	25082515

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: CHEMBL3321894

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 922933