TDR Targets

Basic information

Technical information

TDR Targets ID: 442258
Name: N-[4-[4-amino-7-[(E)-3-(methanesulfonamido)pr op-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methox yphenyl]-1-methylindole-2-carboxamide
MW: 561.675 | Formula: C28H27N5O4S2
H donors: 3 H acceptors: 4 LogP: 3.91 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(ccc1NC(=O)c1cc2c(n1C)cccc2)c1csc2c1c(N)ncc2/C=C/CNS(=O)(=O)C
InChi: 1S/C28H27N5O4S2/c1-33-22-9-5-4-7-18(22)13-23(33)28(34)32-21-11-10-17(14-24(21)37-2)20-16-38-26-19(15-30-27(29)25(20)26)8-6-12-31-39(3,35)36/h4-11,13-16,31H,12H2,1-3H3,(H2,29,30)(H,32,34)/b8-6+
InChiKey: PPMIDRHAKGRIKM-SOFGYWHQSA-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

N-[4-[4-amino-7-[(E)-3-(methanesulfonamido)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
N-[4-[4-amino-7-[(E)-3-(methanesulfonamido)prop-1-enyl]-3-thieno[3,2-c]pyridinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide
N-[4-[4-azanyl-7-[(E)-3-(methylsulfonylamino)prop-1-enyl]thieno[3,2-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
N-[4-[4-amino-7-[(E)-3-methanesulfonamidoprop-1-enyl]thieno[4,5-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
N-[4-[4-amino-7-[(E)-3-methanesulfonamidoprop-1-enyl]thieno[4,5-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide
N-[4-[4-amino-7-[(E)-3-methanesulfonamidoprop-1-enyl]-3-thieno[4,5-c]pyridinyl]-2-methoxyphenyl]-1-methyl-2-indolecarboxamide
N-[4-[4-amino-7-[(E)-3-(methylsulfonylamino)prop-1-enyl]thieno[4,5-c]pyridin-3-yl]-2-methoxy-phenyl]-1-methyl-indole-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	HCK proto-oncogene, Src family tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	LCK proto-oncogene, Src family tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Brugia malayi	ecdysteroid receptor	0.022	0.428	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.022	0.428	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0021	0.0054	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Brugia malayi	nuclear hormone receptor	0.022	0.428	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.022	0.428	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor-like 1	0.022	0.428	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.022	0.428	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126
Schistosoma mansoni	retinoic acid receptor RXR	0.022	0.428	0.428
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0021	0.0054	0.0126
Echinococcus multilocularis	thyroid hormone receptor alpha	0.022	0.428	1
Brugia malayi	tailless protein	0.0104	0.1818	0.4247
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0116	0.2081	0.2081
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.022	0.428	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.022	0.428	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.022	0.428	0.428
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.022	0.428	0.428
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0021	0.0054	0.0126
Onchocerca volvulus	Bile acid receptor homolog	0.022	0.428	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0104	0.1818	0.1818
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0104	0.1818	0.4247
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.022	0.428	1
Echinococcus granulosus	ecdysone induced protein 78C	0.022	0.428	1
Echinococcus multilocularis	FTZ F1 alpha	0.022	0.428	1
Schistosoma mansoni	tyrosine kinase	0.0021	0.0054	0.0054
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0021	0.0054	0.0126
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126
Onchocerca volvulus		0.022	0.428	1
Brugia malayi	nuclear receptor NHR-88	0.0104	0.1818	0.4247
Brugia malayi	photoreceptor-specific nuclear receptor	0.022	0.428	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.022	0.428	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.022	0.428	1
Brugia malayi	Nuclear hormone receptor E75	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor-like 1	0.0116	0.2081	0.4863
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.022	0.428	1
Brugia malayi	SRC-1	0.0021	0.0054	0.0126
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0021	0.0054	0.0126
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0021	0.0054	0.0126
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0021	0.0054	0.0054
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.022	0.428	0.428
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.022	0.428	0.428
Schistosoma mansoni	nuclear receptor nhr-48	0.0104	0.1818	0.1818
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0021	0.0054	0.0126
Echinococcus multilocularis	nuclear receptor nhr 48	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.022	0.428	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.022	0.428	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.022	0.428	0.428
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126
Echinococcus multilocularis	c src tyrosine kinase	0.0021	0.0054	0.0126
Brugia malayi	nuclear receptor RXR	0.0116	0.2081	0.4863
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.022	0.428	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0021	0.0054	0.0126
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2081	0.4863
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0116	0.2081	0.4863
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Schistosoma mansoni	tyrosine kinase	0.0021	0.0054	0.0054
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.022	0.428	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.022	0.428	0.428
Brugia malayi	Nuclear hormone receptor-like 1	0.0116	0.2081	0.4863
Brugia malayi	nuclear hormone receptor	0.0104	0.1818	0.4247
Loa Loa (eye worm)	DR-78	0.0104	0.1818	0.4247
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0104	0.1818	0.4247
Schistosoma mansoni	nuclear hormone receptor	0.0104	0.1818	0.1818
Schistosoma mansoni	thyroid hormone receptor	0.022	0.428	0.428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.022	0.428	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0104	0.1818	0.4247
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.022	0.428	1
Brugia malayi	Steroid receptor seven-up type 2	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.022	0.428	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.022	0.428	0.428
Schistosoma mansoni	nuclear receptor	0.0104	0.1818	0.1818
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0021	0.0054	0.0126
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus granulosus	FTZ F1 alpha	0.022	0.428	1
Schistosoma mansoni	coup transcription factor	0.022	0.428	0.428
Brugia malayi	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.022	0.428	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.022	0.428	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2081	0.4863
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.022	0.428	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0116	0.2081	0.2081
Schistosoma mansoni	nuclear hormone receptor	0.0104	0.1818	0.1818
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0021	0.0054	0.0126
Brugia malayi	hypothetical protein	0.0116	0.2081	0.4863
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0021	0.0054	0.0126
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0021	0.0054	0.0126
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0021	0.0054	0.0126
Onchocerca volvulus	Protein ultraspiracle homolog	0.022	0.428	1
Schistosoma mansoni	zinc finger protein	0.0104	0.1818	0.1818
Echinococcus granulosus	c src tyrosine kinase	0.0021	0.0054	0.0126
Brugia malayi	nuclear receptor NHR-67	0.0104	0.1818	0.4247
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Brugia malayi	ecdysone receptor	0.0104	0.1818	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	nuclear hormone receptor	0.0104	0.1818	0.4247
Loa Loa (eye worm)	steroid hormone receptor	0.022	0.428	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.022	0.428	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0116	0.2081	0.4863
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.022	0.428	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0104	0.1818	0.4247
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0104	0.1818	0.4247
Loa Loa (eye worm)	SRC-1	0.0021	0.0054	0.0126
Schistosoma mansoni	nuclear hormone receptor	0.022	0.428	0.428
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0104	0.1818	0.4247
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.022	0.428	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0021	0.0054	0.0126
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2081	0.4863
Schistosoma mansoni	nuclear receptor	0.0104	0.1818	0.1818
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.022	0.428	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0104	0.1818	0.4247
Brugia malayi	hypothetical protein	0.0116	0.2081	0.4863
Schistosoma mansoni	RAR-like nuclear receptor	0.022	0.428	0.428
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.022	0.428	1
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2081	0.4863
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0116	0.2081	0.4863
Loa Loa (eye worm)	hypothetical protein	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.022	0.428	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0104	0.1818	0.4247
Brugia malayi	steroid hormone receptor	0.022	0.428	1
Brugia malayi	nuclear receptor RXR	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor E75	0.0104	0.1818	0.4247
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.022	0.428	1
Brugia malayi	hypothetical protein	0.0104	0.1818	0.4247
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.022	0.428	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0104	0.1818	0.4247
Schistosoma mansoni	thyroid hormone receptor	0.022	0.428	0.428
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0104	0.1818	0.4247
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0104	0.1818	0.4247
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.022	0.428	1
Schistosoma mansoni	tyrosine kinase	0.0021	0.0054	0.0054
Brugia malayi	nuclear receptor NHR-88	0.022	0.428	1
Schistosoma mansoni	tyrosine kinase	0.0021	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.022	0.428	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0021	0.0054	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0116	0.2081	0.4863
Brugia malayi	conserved hypotetical protein	0.0104	0.1818	0.4247
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.022	0.428	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0021	0.0054	0.0126

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.37 uM	Inhibition of Lck	ChEMBL.	17234410
IC50 (binding)	= 1.37 uM	Inhibition of Lck	ChEMBL.	17234410
IC50 (binding)	= 4.3 uM	Inhibition of Hck	ChEMBL.	17234410
IC50 (binding)	= 4.3 uM	Inhibition of Hck	ChEMBL.	17234410

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: CHEMBL232731
PubChem: 18451049

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 442258