TDR Targets

Basic information

Technical information

TDR Targets ID: 90859
Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-hy droxypiperidin-1-yl)methyl]thiophen-3-yl]quin oline-3-carbonitrile
MW: 539.476 | Formula: C27H24Cl2N4O2S
H donors: 2 H acceptors: 3 LogP: 6.28 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1cnc2c(c1Nc1cc(OC)c(cc1Cl)Cl)ccc(c2)c1csc(c1)CN1CCC(CC1)O
InChi: 1S/C27H24Cl2N4O2S/c1-35-26-11-25(22(28)10-23(26)29)32-27-18(12-30)13-31-24-9-16(2-3-21(24)27)17-8-20(36-15-17)14-33-6-4-19(34)5-7-33/h2-3,8-11,13,15,19,34H,4-7,14H2,1H3,(H,31,32)
InChiKey: CFDHHRZNUQOKIH-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

4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-hydroxy-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile
4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-3-thienyl]-3-quinolinecarbonitrile
4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-hydroxypiperidino)methyl]-3-thienyl]quinoline-3-carbonitrile
4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[5-[(4-hydroxypiperidin-1-yl)methyl]thiophen-3-yl]quinoline-3-carbonitrile
4-[(2,4-dichloro-5-methoxy-phenyl)amino]-7-[5-[(4-hydroxy-1-piperidyl)methyl]-3-thienyl]quinoline-3-carbonitrile
4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[5-[(4-hydroxy-1-piperidinyl)methyl]-3-thienyl]-3-quinolinecarbonitrile
7-thienyl-3-quinolinecarbonitrile 15

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750

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	geminin	0.0353	1	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0524	0.0524
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0425	0.0425
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0563	0.0563
Brugia malayi	TAR-binding protein	0.0126	0.3141	1
Brugia malayi	protein-tyrosine kinase	0.0041	0.0563	0.0933
Onchocerca volvulus		0.0037	0.0427	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0427	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0697	0.0697
Brugia malayi	beta-lactamase family protein	0.0037	0.0427	0.0455
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0832	0.5
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0427	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0697	0.0697
Brugia malayi	beta-lactamase family protein	0.0037	0.0427	0.0455
Loa Loa (eye worm)	RNA binding protein	0.0126	0.3141	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0427	0.0427
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0427	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0563	0.0506
Leishmania major	hypothetical protein, conserved	0.005	0.0832	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0126	0.3141	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0454	0.0454
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0697	0.0697
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0425	0.0425
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0427	0.0455
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0697	0.0697
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0697	0.0697
Schistosoma mansoni	hypothetical protein	0.0353	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0832	0.1498
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.0832	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0978	0.2392
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.3141	0.3141
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697
Onchocerca volvulus		0.0037	0.0427	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697
Echinococcus multilocularis	tar DNA binding protein	0.0126	0.3141	0.3141
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0697	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0697	0.0697
Brugia malayi	RNA binding protein	0.0126	0.3141	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0427	0.0427
Entamoeba histolytica	protein kinase, putative	0.0036	0.0425	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.0832	0.5
Echinococcus granulosus	tyrosine kinase	0.0041	0.0563	0.0563
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0427	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0978	0.2033
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0427	0.0005
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0427	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0978	0.2033
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0697	0.0697
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Brugia malayi	RNA recognition motif domain containing protein	0.0126	0.3141	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0427	0.5
Loa Loa (eye worm)	SRC-1	0.0045	0.0697	0.0999
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0427	0.0427
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0427	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0427	0.5
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0563	0.0563
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.3141	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.0832	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0427	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0978	0.2392
Trichomonas vaginalis	esterase, putative	0.0037	0.0427	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.0832	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0563	0.0563
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.3141	0.3141
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0427	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0697	0.0697
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0524	0.0524
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0427	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.3141	0.3141
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0832	1
Mycobacterium ulcerans	lipase LipD	0.0037	0.0427	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0427	0.0005
Onchocerca volvulus		0.0037	0.0427	0.5
Brugia malayi	hypothetical protein	0.005	0.0832	0.188
Schistosoma mansoni	hypothetical protein	0.0353	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0126	0.3141	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.3141	0.3141
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0563	0.0563
Brugia malayi	SRC-1	0.0045	0.0697	0.1404
Schistosoma mansoni	tyrosine kinase	0.0045	0.0697	0.0697
Brugia malayi	beta-lactamase	0.0037	0.0427	0.0455
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0454	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0454	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0427	0.0005
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0697	0.0697
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697
Schistosoma mansoni	tyrosine kinase	0.0045	0.0697	0.0697
Echinococcus granulosus	tar DNA binding protein	0.0126	0.3141	0.3141
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0563	0.0563
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0697	0.0697
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0427	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.0832	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.6374	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0697	0.0697

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.4 nM	Inhibition of Src kinase in yeast-based screen	ChEMBL.	12113830
IC50 (binding)	= 1.4 nM	Inhibition of Src kinase in yeast-based screen	ChEMBL.	12113830
IC50 (functional)	= 120 nM	Inhibition of Src-dependent cell proliferation	ChEMBL.	12113830
IC50 (functional)	= 120 nM	Inhibition of Src-dependent cell proliferation	ChEMBL.	12113830

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

Search by CAS
ChEMBL: CHEMBL418652
PubChem: 5330100

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 90859