TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.403 | Formula: C20H19FN6
H donors: 1 H acceptors: 3 LogP: 4.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)Nc1nccc(n1)N(c1ccc2c(c1)nn(c2C)C)C
InChi: 1S/C20H19FN6/c1-13-17-8-7-16(12-18(17)25-27(13)3)26(2)19-9-10-22-20(24-19)23-15-6-4-5-14(21)11-15/h4-12H,1-3H3,(H,22,23,24)
InChiKey: ZZOSNJKKAQFXHV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	platelet-derived growth factor receptor, alpha polypeptide	Starlite/ChEMBL	References
Homo sapiens	v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	TK/KIN16 protein kinase	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
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
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	Get druggable targets OG5_132967	All targets in OG5_132967

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
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.1755	0.1755
Brugia malayi	Fibronectin type III domain containing protein	0.003	0.0063	0.0229
Trichomonas vaginalis	set domain proteins, putative	0.0247	0.3191	0.6204
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0064	0.0064
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0081	0.0293
Plasmodium falciparum	thioredoxin reductase	0.0037	0.017	0.0336
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.021	0.015
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0085	0.0858	0.1696
Echinococcus granulosus	roundabout 2	0.0041	0.0226	0.0226
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0081	0.0081
Trichomonas vaginalis	hypothetical protein	0.0377	0.506	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0137	0.027
Echinococcus granulosus	Immunoglobulin	0.003	0.0063	0.0063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0278	0.0278
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0137	0.027
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0081	0.0081
Plasmodium vivax	glutathione reductase, putative	0.0037	0.017	0.0336
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.1842	0.3641
Brugia malayi	Pre-SET motif family protein	0.0217	0.2759	1
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0377	0.506	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0116	0.042
Echinococcus granulosus	muscleblind protein	0.0148	0.1755	0.1755
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0137	0.0495
Leishmania major	mitochondrial DNA polymerase beta	0.0292	0.3828	1
Schistosoma mansoni	alpha-glucosidase	0.0156	0.1874	0.1874
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.021	0.015
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.021	0.015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0278	0.0278
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.021	0.021
Mycobacterium ulcerans	lipase LipD	0.0035	0.0137	0.027
Toxoplasma gondii	hypothetical protein	0.0047	0.0309	0.0611
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0137	0.027
Toxoplasma gondii	ABC1 family protein	0.0035	0.0137	0.027
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0137	0.027
Schistosoma mansoni	hypothetical protein	0.0167	0.204	0.204
Trichomonas vaginalis	maltase-glucoamylase, putative	0.004	0.021	0.015
Toxoplasma gondii	thioredoxin reductase	0.0037	0.017	0.0336
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.004	0.021	0.015
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0081	0.0081
Brugia malayi	Immunoglobulin I-set domain containing protein	0.003	0.0063	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Schistosoma mansoni	cell adhesion molecule	0.0034	0.0116	0.0116
Echinococcus multilocularis	Immunoglobulin	0.003	0.0063	0.0063
Echinococcus granulosus	geminin	0.0167	0.204	0.204
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0181	0.2237	0.8108
Echinococcus granulosus	lysosomal alpha glucosidase	0.0181	0.2237	0.2237
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Onchocerca volvulus		0.0167	0.2029	0.6358
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.3828	1
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0034	0.0116	0.0116
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.017	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0226	0.0819
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.003	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0292	0.3828	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0085	0.0858	0.1696
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0085	0.0858	0.1696
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0222	0.0581
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0377	0.506	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.021	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0137	0.0137
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0137	0.0137
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0137	0.027
Loa Loa (eye worm)	glutathione reductase	0.0037	0.017	0.0616
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.0995	0.1967
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.003	0.0063	0.0063
Brugia malayi	glutathione reductase	0.0037	0.017	0.0616
Brugia malayi	beta-lactamase family protein	0.0035	0.0137	0.0495
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0671	0.9283	0.9283
Leishmania major	trypanothione reductase	0.0037	0.017	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1755	0.636
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0217	0.2759	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0137	0.027
Onchocerca volvulus		0.0035	0.0137	0.0428
Echinococcus multilocularis	geminin	0.0167	0.204	0.204
Echinococcus multilocularis	muscleblind protein	0.0148	0.1755	0.1755
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0137	0.027
Plasmodium falciparum	glutathione reductase	0.0037	0.017	0.0336
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0205	0.2576	0.9337
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.017	0.0336
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.017	0.0444
Onchocerca volvulus		0.0031	0.0081	0.0253
Leishmania major	hypothetical protein, conserved	0.0035	0.0137	0.0357
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0137	0.027
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0137	0.0357
Onchocerca volvulus		0.0035	0.0137	0.0428
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0278	0.0278
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0222	0.0581
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0278	0.0278
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0222	0.0581
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.021	1
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.003	0.0063	0.0063
Onchocerca volvulus	Tyrosine kinase homolog	0.0179	0.2203	0.6903
Echinococcus multilocularis	neuroglian	0.0038	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Trypanosoma brucei	trypanothione reductase	0.0037	0.017	0.0444
Schistosoma mansoni	alpha-glucosidase	0.0156	0.1874	0.1874
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.017	0.0336
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0181	0.2237	0.8108
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.021	0.055
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0137	0.0495
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0137	0.027
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0292	0.3828	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0137	0.027
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0226	0.0819
Brugia malayi	Muscleblind-like protein	0.0148	0.1755	0.636
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0278	0.0278
Echinococcus multilocularis	roundabout 2	0.0041	0.0226	0.0226
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0377	0.506	1
Echinococcus multilocularis	Immunoglobulin	0.003	0.0063	0.0063
Brugia malayi	Pre-SET motif family protein	0.0031	0.0081	0.0293
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.2237	0.2237
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0181	0.2237	0.2237
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0137	0.027
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0085	0.0858	0.1696
Onchocerca volvulus		0.0105	0.1139	0.3569
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0137	0.027
Schistosoma mansoni	vesicular amine transporter	0.003	0.0063	0.0063
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0137	0.0137
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.0995	0.1967
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0137	0.0357
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0278	0.0278
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0137	0.0137
Onchocerca volvulus		0.0247	0.3191	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0177	0.0177
Echinococcus granulosus	defective proboscis extension response	0.003	0.0063	0.0063
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0081	0.016
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2854	0.5639
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.004	0.021	0.0416
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.021	0.015
Mycobacterium tuberculosis	Probable reductase	0.0085	0.0858	0.1696
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0205	0.2576	0.9337
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0377	0.506	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0351	0.0918
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0377	0.506	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0081	0.0081
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.0995	0.1967
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.021	0.0763
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0137	0.0357
Trichomonas vaginalis	sucrase-isomaltase, putative	0.004	0.021	0.015
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0137	0.027
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1755	0.636
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0137	0.027
Mycobacterium ulcerans	hypothetical protein	0.0154	0.1842	0.3641
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.021	0.021
Echinococcus granulosus	twitchin	0.0038	0.0173	0.0173
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.021	0.015
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0137	0.0495
Mycobacterium tuberculosis	Probable dehydrogenase	0.0085	0.0858	0.1696
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0081	0.0081
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0085	0.0858	0.1696
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0177	0.0177
Onchocerca volvulus		0.0035	0.0137	0.0428
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.021	0.055
Schistosoma mansoni	nephrin	0.0038	0.0173	0.0173
Brugia malayi	beta-lactamase	0.0035	0.0137	0.0495
Brugia malayi	beta-lactamase family protein	0.0035	0.0137	0.0495
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0081	0.0081
Brugia malayi	Thioredoxin reductase	0.0037	0.017	0.0616
Leishmania major	alpha glucosidase II subunit, putative	0.004	0.021	0.055
Plasmodium vivax	SET domain protein, putative	0.0031	0.0081	0.016
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0278	0.0278
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0137	0.027
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0137	0.027
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0137	0.027
Schistosoma mansoni	hypothetical protein	0.0167	0.204	0.204
Trichomonas vaginalis	alpha-glucosidase, putative	0.004	0.021	0.015
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0377	0.506	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.0995	0.1967
Loa Loa (eye worm)	hypothetical protein	0.003	0.0063	0.0229
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0137	0.0495
Brugia malayi	hypothetical protein	0.003	0.0063	0.0229
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0278	0.1009
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1618	0.4227
Echinococcus granulosus	neuroglian	0.0038	0.0173	0.0173
Trypanosoma brucei	glucosidase, putative	0.004	0.021	0.055
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0222	0.0581
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.1618	0.4227
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0278	0.1009
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.021	0.0763
Schistosoma mansoni	alpha glucosidase	0.004	0.021	0.021
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0377	0.506	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.1618	0.4227
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0377	0.506	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 78 nM	Inhibition of VEGFR-2 tyrosine kinase (unknown origin) after 30 mins by HTRF method	ChEMBL.	24456902
IC50 (binding)	= 102 nM	Inhibition of c-KIT tyrosine kinase (unknown origin) after 30 mins by HTRF method	ChEMBL.	24456902
IC50 (binding)	= 130 nM	Inhibition of PDGFR-alpha tyrosine kinase (unknown origin) after 30 mins by HTRF method	ChEMBL.	24456902

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: CHEMBL3114018

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 1832224