TDR Targets

Basic information

Technical information

TDR Targets ID: 288354
Name: [2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihyd ro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2 -ylmethanone
MW: 432.965 | Formula: C25H21ClN2OS
H donors: 1 H acceptors: 1 LogP: 6.43 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Nc1sc2c(c1C(=O)c1ccc3c(c1)cccc3)CCN(C2)Cc1ccccc1Cl
InChi: 1S/C25H21ClN2OS/c26-21-8-4-3-7-19(21)14-28-12-11-20-22(15-28)30-25(27)23(20)24(29)18-10-9-16-5-1-2-6-17(16)13-18/h1-10,13H,11-12,14-15,27H2
InChiKey: QDJRJLBKIWFUGA-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

[2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-naphthyl)methanone
[2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-naphthalenyl)methanone
[2-azanyl-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-naphthalen-2-yl-methanone
[2-amino-6-(2-chlorobenzyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-naphthyl)methanone
[2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-naphthalen-2-ylmethanone
[2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-(2-naphthyl)methanone
[2-amino-6-(2-chlorobenzyl)-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-(2-naphthyl)methanone
[2-amino-6-[(2-chlorophenyl)methyl]-5,7-dihydro-4H-thieno[5,4-c]pyridin-3-yl]-naphthalen-2-yl-methanone

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Mycobacterium ulcerans	proteasome PrcB	0.0449	0.5363	0.5
Echinococcus multilocularis	cathepsin b	0.016	0.1129	0.0597
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Brugia malayi	hypothetical protein	0.0322	0.351	0.351
Brugia malayi	hypothetical protein	0.0238	0.2271	0.2271
Onchocerca volvulus		0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.0587	0.7381	0.7224
Echinococcus granulosus	apoptotic protease activating factor 1	0.0322	0.351	0.351
Plasmodium falciparum	metacaspase 1	0.0303	0.3226	0.5546
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Echinococcus granulosus	cathepsin b	0.016	0.1129	0.1129
Loa Loa (eye worm)	hypothetical protein	0.0766	1	1
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0303	0.3226	0.3226
Trypanosoma cruzi	metacaspase, putative	0.0303	0.3226	0.6016
Onchocerca volvulus		0.0121	0.0565	0.0565
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0449	0.5363	0.5363
Schistosoma mansoni	caspase-7 (C14 family)	0.0587	0.7381	0.7381
Plasmodium falciparum	proteasome subunit beta type-5	0.0449	0.5363	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0565	0.1054
Leishmania major	proteasome beta 5 subunit, putative	0.0449	0.5363	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Echinococcus granulosus	survival motor neuron protein 1	0.0238	0.2271	0.2271
Brugia malayi	Papain family cysteine protease containing protein	0.0121	0.0565	0.0565
Schistosoma mansoni	caspase-3 (C14 family)	0.0587	0.7381	0.7381
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trypanosoma brucei	metacaspase MCA2	0.0303	0.3226	0.5546
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0322	0.351	0.3121
Leishmania major	metacaspase, putative	0.0303	0.3226	0.5546
Loa Loa (eye worm)	hypothetical protein	0.0238	0.2271	0.2271
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0449	0.5363	1
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0449	0.5363	0.5
Loa Loa (eye worm)	hypothetical protein	0.016	0.1129	0.1129
Echinococcus granulosus	caspase 2	0.0766	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Loa Loa (eye worm)	hypothetical protein	0.0322	0.351	0.351
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Schistosoma mansoni	cathepsin F (C01 family)	0.0121	0.0565	0.0565
Schistosoma mansoni	caspase-7 (C14 family)	0.0766	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Onchocerca volvulus		0.0121	0.0565	0.0565
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.0587	0.7381	0.7381
Trypanosoma brucei	metacaspase 5, putative	0.0303	0.3226	0.5546
Echinococcus multilocularis	caspase 2	0.0766	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trypanosoma cruzi	metacaspase 5, putative	0.0303	0.3226	0.6016
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.016	0.1129	0.1129
Loa Loa (eye worm)	cysteine protease	0.0121	0.0565	0.0565
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0449	0.5363	1
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.0565	0.1054
Onchocerca volvulus		0.0121	0.0565	0.0565
Onchocerca volvulus		0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trypanosoma cruzi	metacaspase, putative	0.0303	0.3226	0.6016
Echinococcus granulosus	caspase 3	0.0284	0.295	0.295
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Echinococcus granulosus	caspase 8	0.0303	0.3226	0.3226
Onchocerca volvulus	Cell death protein 3 homolog	0.0766	1	1
Trypanosoma cruzi	metacaspase, putative	0.0303	0.3226	0.6016
Brugia malayi	cathepsin B-like cysteine proteinase	0.016	0.1129	0.1129
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.016	0.1129	0.1129
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0449	0.5363	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0565	0.0565
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0121	0.0565	0.0565
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0303	0.3226	0.5546
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0449	0.5363	0.5085
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Echinococcus granulosus	cathepsin b	0.016	0.1129	0.1129
Entamoeba histolytica	cysteine proteinase, putative	0.0121	0.0565	0.1054
Toxoplasma gondii	proteasome subunit beta type, putative	0.0449	0.5363	1
Onchocerca volvulus	Cathepsin L homolog	0.0121	0.0565	0.0565
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.016	0.1129	0.1129
Brugia malayi	Proteasome A-type and B-type family protein	0.0449	0.5363	0.5363
Onchocerca volvulus		0.0322	0.351	0.351
Plasmodium falciparum	metacaspase-like protein	0.0303	0.3226	0.5546
Echinococcus multilocularis	survival motor neuron protein 1	0.0238	0.2271	0.1807
Loa Loa (eye worm)	hypothetical protein	0.0303	0.3226	0.3226
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0449	0.5363	1
Plasmodium vivax	hypothetical protein, conserved	0.0303	0.3226	0.5546
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Trypanosoma brucei	metacaspase MCA3	0.0303	0.3226	0.5546
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0565	0.1054
Schistosoma mansoni	hypothetical protein	0.0322	0.351	0.351
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.016	0.1129	0.2105
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Loa Loa (eye worm)	fibroinase	0.0121	0.0565	0.0565
Onchocerca volvulus	Cathepsin F homolog	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0121	0.0565	0.0565
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Loa Loa (eye worm)	ctsf protein	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Onchocerca volvulus		0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Echinococcus granulosus	proteasome prosome macropain	0.0449	0.5363	0.5363
Onchocerca volvulus		0.0121	0.0565	0.0565
Echinococcus granulosus	caspase	0.0587	0.7381	0.7381
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0303	0.3226	0.3226
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0565	0.1054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.016	0.1129	0.1129
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0449	0.5363	1
Trypanosoma cruzi	metacaspase 5, putative	0.0303	0.3226	0.6016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Echinococcus multilocularis	caspase	0.0587	0.7381	0.7224
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Brugia malayi	Cathepsin L-like precursor	0.0121	0.0565	0.0565
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Trypanosoma brucei	Metacaspase-4	0.0303	0.3226	0.5546
Echinococcus multilocularis	caspase 3	0.0284	0.295	0.2527
Trypanosoma cruzi	cruzipain precursor, putative	0.0121	0.0565	0.1054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0303	0.3226	0.6016
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0449	0.5363	0.5363
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0449	0.5363	1
Echinococcus multilocularis	cathepsin b	0.016	0.1129	0.0597
Echinococcus granulosus	cathepsin l1	0.0121	0.0565	0.0565
Entamoeba histolytica	cysteine protease, putative	0.0121	0.0565	0.1054
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.3226	0.6016
Echinococcus multilocularis	caspase 8	0.0303	0.3226	0.282
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0121	0.0565	0.0565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0565	0.1054
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0449	0.5363	0.5
Trypanosoma brucei	metacaspase	0.0303	0.3226	0.5546
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0449	0.5363	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0303	0.3226	0.5546
Schistosoma mansoni	cathepsin F (C01 family)	0.0121	0.0565	0.0565
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0303	0.3226	0.5546
Trypanosoma cruzi	metacaspase, putative	0.0303	0.3226	0.6016
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0565	0.1054
Plasmodium vivax	metacaspase 1, putative	0.0303	0.3226	0.5546

Activities

Activity type	Activity value	Assay description	Source	Reference
Change (functional)	= -20 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.1 uM	ChEMBL.	12593659
Change (functional)	= -20 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.1 uM	ChEMBL.	12593659
Change (functional)	= -17 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 10 uM	ChEMBL.	12593659
Change (functional)	= -17 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 10 uM	ChEMBL.	12593659
Change (functional)	= -10 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.01 uM	ChEMBL.	12593659
Change (functional)	= -10 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 1 uM	ChEMBL.	12593659
Change (functional)	= -10 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 0.01 uM	ChEMBL.	12593659
Change (functional)	= -10 %	Percent change in cAMP content of CHO (Chinese hamster ovary) cells expressing human Adenosine A1 receptor at 1 uM	ChEMBL.	12593659

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: CHEMBL168277
PubChem: 10296509

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 288354