TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 374.411 | Formula: C22H19FN4O
H donors: 1 H acceptors: 2 LogP: 4.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1Oc1ccc(cc1)c1nc(n2c1c(N)ncc2)C1CCC1
InChi: 1S/C22H19FN4O/c23-17-6-1-2-7-18(17)28-16-10-8-14(9-11-16)19-20-21(24)25-12-13-27(20)22(26-19)15-4-3-5-15/h1-2,6-13,15H,3-5H2,(H2,24,25)
InChiKey: KDHIGBRXWJKTJH-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	tyrosine kinase, non-receptor, 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131365	All targets in OG5_131365
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus multilocularis	protein KINase family member (kin 25)	Get druggable targets OG5_131365	All targets in OG5_131365
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131365	All targets in OG5_131365
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131365	All targets in OG5_131365
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131365	All targets in OG5_131365
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus multilocularis	activated cdc42 kinase 1	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus granulosus	activated cdc42 kinase 1	Get druggable targets OG5_131365	All targets in OG5_131365
Schistosoma japonicum	Activated CDC42 kinase 2, putative	Get druggable targets OG5_131365	All targets in OG5_131365
Schistosoma japonicum	IPR011009,Protein kinase-like;IPR010993,Sterile alpha motif homology;IPR000719,Protein kinase;IPR015779,ACK tyrosine protein ki	Get druggable targets OG5_131365	All targets in OG5_131365
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus granulosus	activated cdc42 kinase 1	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus multilocularis	transfer RNA-Thr	Get druggable targets OG5_131365	All targets in OG5_131365
Echinococcus granulosus	tyrosine protein kinase Btk29A	Get druggable targets OG5_131365	All targets in OG5_131365

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	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Schistosoma mansoni	laminin gamma-3 chain	0.0035	0.006	0.006
Brugia malayi	notch-like transmembrane receptor	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Echinococcus granulosus	delta-like protein 1	0.0035	0.006	0.006
Leishmania major	cathepsin L-like protease	0.0075	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Echinococcus multilocularis	protein jagged 1	0.0035	0.006	0.006
Echinococcus granulosus	enteropeptidase	0.0097	0.0845	0.0845
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0035	0.006	0.0144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Brugia malayi	Trypsin family protein	0.0357	0.4183	1
Onchocerca volvulus		0.0357	0.4183	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0035	0.006	0.006
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0357	0.4183	0.4183
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Onchocerca volvulus		0.0035	0.006	0.0144
Onchocerca volvulus		0.0245	0.2752	0.6579
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Onchocerca volvulus		0.0035	0.006	0.0144
Onchocerca volvulus		0.0035	0.006	0.0144
Brugia malayi	Cadherin domain containing protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0603	0.1441
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Echinococcus multilocularis	neurogenic locus notch protein	0.0035	0.006	0.006
Echinococcus granulosus	protein jagged 1	0.0035	0.006	0.006
Toxoplasma gondii	PAN domain-containing protein	0.034	0.3958	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Loa Loa (eye worm)	notch protein	0.0035	0.006	0.0144
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Loa Loa (eye worm)	trypsin family protein	0.0053	0.0284	0.0679
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Toxoplasma gondii	EGF family domain-containing protein	0.0035	0.006	0.0152
Echinococcus multilocularis	Mastin	0.0097	0.0845	0.0845
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0035	0.006	0.006
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0035	0.006	0.0144
Echinococcus multilocularis	protein jagged 2	0.0035	0.006	0.006
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0078	0.0603	0.0603
Onchocerca volvulus		0.0035	0.006	0.0144
Echinococcus multilocularis	transmembrane protease serine 3	0.0053	0.0284	0.0284
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0038	0.0097	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0097	0.0845	0.0845
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0284	0.0679
Echinococcus granulosus	expressed protein	0.0039	0.0109	0.0109
Echinococcus granulosus	neurogenic locus notch protein	0.0035	0.006	0.006
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0053	0.0284	0.0284
Echinococcus granulosus	neurogenic locus notch protein	0.0035	0.006	0.006
Echinococcus granulosus	fibropellin Ia	0.0035	0.006	0.006
Echinococcus granulosus	Mastin	0.0097	0.0845	0.0845
Echinococcus multilocularis	neurogenic locus protein delta	0.0035	0.006	0.006
Echinococcus granulosus	neural cadherin	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0284	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0284	0.0679
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Echinococcus multilocularis	protein KINase family member (kin 25)	0.0078	0.0603	0.0603
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Schistosoma mansoni	tyrosine kinase	0.0078	0.0603	0.0603
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0284	0.0284
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Brugia malayi	Calcium binding EGF domain containing protein	0.0035	0.006	0.0144
Schistosoma mansoni	notch	0.0035	0.006	0.006
Echinococcus granulosus	activated cdc42 kinase 1	0.02	0.2175	0.2175
Schistosoma mansoni	notch	0.0035	0.006	0.006
Brugia malayi	hypothetical protein	0.0053	0.0284	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Echinococcus granulosus	protein jagged 2	0.0035	0.006	0.006
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Echinococcus multilocularis	enteropeptidase	0.0097	0.0845	0.0845
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0035	0.006	0.006
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0053	0.0284	0.0679
Schistosoma mansoni	slit	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Onchocerca volvulus	Neurogenic locus notch homolog	0.0035	0.006	0.0144
Onchocerca volvulus		0.0053	0.0284	0.0679
Schistosoma mansoni	notch	0.0035	0.006	0.006
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0284	0.0284
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0109	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.059	0.141
Brugia malayi	Delta serrate ligand family protein	0.0035	0.006	0.0144
Echinococcus multilocularis	expressed protein	0.0039	0.0109	0.0109
Echinococcus granulosus	notch	0.0035	0.006	0.006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0199	0.2161	0.5167
Onchocerca volvulus		0.0304	0.3505	0.8379
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0053	0.0284	0.0284
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Echinococcus granulosus	protein jagged 2	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	hypothetical protein	0.0053	0.0284	0.0284
Echinococcus granulosus	slit 2 protein	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.02	0.2175	0.5199
Echinococcus multilocularis	neural cadherin	0.0035	0.006	0.006
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0284	0.0284
Echinococcus multilocularis	fibropellin Ia	0.0035	0.006	0.006
Brugia malayi	Trypsin family protein	0.0053	0.0284	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Toxoplasma gondii	PAN domain-containing protein	0.034	0.3958	1
Brugia malayi	Trypsin-like protease protein 5	0.0053	0.0284	0.0679
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.0361	0.5621
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0357	0.4183	0.4183
Brugia malayi	Trypsin family protein	0.0053	0.0284	0.0679
Echinococcus granulosus	glycoprotein Antigen 5	0.0097	0.0845	0.0845
Onchocerca volvulus		0.0035	0.006	0.0144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0284	0.0679
Toxoplasma gondii	peptidylprolyl isomerase	0.0038	0.0097	0.0246
Onchocerca volvulus		0.0053	0.0284	0.0679
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Brugia malayi	Calcium binding EGF domain containing protein	0.0035	0.006	0.0144
Onchocerca volvulus		0.0053	0.0284	0.0679
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0284	0.0679
Brugia malayi	Protein kinase domain containing protein	0.02	0.2175	0.5199
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0284	0.0284
Leishmania major	cathepsin L-like protease	0.0075	0.0567	1
Brugia malayi	GCC2 and GCC3 family protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Giardia lamblia	High cysteine protein	0.0035	0.006	0.5
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0284	0.0284
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0053	0.0284	0.0284
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Brugia malayi	Muscle positioning protein 4	0.0035	0.006	0.0144
Echinococcus multilocularis	notch	0.0035	0.006	0.006
Brugia malayi	Calcium binding EGF domain containing protein	0.0035	0.006	0.0144
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Echinococcus multilocularis	neurogenic locus protein delta	0.0035	0.006	0.006
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0567	1
Echinococcus granulosus	activated cdc42 kinase 1	0.02	0.2175	0.2175
Onchocerca volvulus	Slit protein homolog	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Schistosoma mansoni	hypothetical protein	0.0053	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Echinococcus multilocularis	slit 2 protein	0.0035	0.006	0.006
Schistosoma mansoni	septate junction protein	0.0035	0.006	0.006
Brugia malayi	Cadherin domain containing protein	0.0035	0.006	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Echinococcus multilocularis	glycoprotein Antigen 5	0.0097	0.0845	0.0845
Echinococcus multilocularis	neurogenic locus notch protein	0.0035	0.006	0.006
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0053	0.0284	0.0284
Echinococcus multilocularis	transfer RNA-Thr	0.02	0.2175	0.2175
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Loa Loa (eye worm)	hypothetical protein	0.0357	0.4183	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.0483	0.8225
Leishmania major	cathepsin L-like protease	0.0075	0.0567	1
Schistosoma mansoni	notch	0.0035	0.006	0.006
Brugia malayi	Trypsin family protein	0.0053	0.0284	0.0679
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0357	0.4183	1
Echinococcus multilocularis	protein jagged 1	0.0035	0.006	0.006
Loa Loa (eye worm)	Notch2	0.0035	0.006	0.0144
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.0567	1
Trichomonas vaginalis	rotamase, putative	0.0039	0.0109	1
Schistosoma mansoni	cell polarity protein	0.0035	0.006	0.006
Schistosoma mansoni	notch	0.0035	0.006	0.006
Onchocerca volvulus		0.0053	0.0284	0.0679
Echinococcus granulosus	neurogenic locus protein delta	0.0035	0.006	0.006
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Schistosoma mansoni	hypothetical protein	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0077	0.059	0.141
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0039	0.0109	0.0261
Schistosoma mansoni	rotamase	0.0039	0.0109	0.0109
Brugia malayi	EGF-like domain containing protein	0.0035	0.006	0.0144
Echinococcus granulosus	neurogenic locus notch protein 4	0.0035	0.006	0.006
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0567	1
Echinococcus multilocularis	activated cdc42 kinase 1	0.02	0.2175	0.2175
Echinococcus granulosus	transmembrane protease serine 3	0.0053	0.0284	0.0284
Onchocerca volvulus	Putative cubilin	0.0035	0.006	0.0144
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0567	1
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0284	0.5
Onchocerca volvulus		0.0053	0.0284	0.0679
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0039	0.0109	0.0261
Schistosoma mansoni	notch	0.0035	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Echinococcus granulosus	protein jagged 1	0.0035	0.006	0.006
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0035	0.006	0.0144

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 95.2 nM	BindingDB_Patents: AlphaScreen Assay. AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.	ChEMBL.	No reference
IC50 (binding)	= 0.1 uM	Inhibition of ACK1 (unknown origin) by biochemical assay	ChEMBL.	23317569

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: CHEMBL2325961

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 1726572