TDR Targets

Basic information

Technical information

TDR Targets ID: 329749
Name: 4-chloro-1-[[5-(5-chlorothiophen-2-yl)-1,2-ox azol-3-yl]methyl]-N-(1-propan-2-ylpiperidin-4 -yl)indole-2-carboxamide
MW: 517.471 | Formula: C25H26Cl2N4O2S
H donors: 1 H acceptors: 2 LogP: 6.05 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CC(N1CCC(CC1)NC(=O)c1cc2c(n1Cc1noc(c1)c1ccc(s1)Cl)cccc2Cl)C
InChi: 1S/C25H26Cl2N4O2S/c1-15(2)30-10-8-16(9-11-30)28-25(32)21-13-18-19(26)4-3-5-20(18)31(21)14-17-12-22(33-29-17)23-6-7-24(27)34-23/h3-7,12-13,15-16H,8-11,14H2,1-2H3,(H,28,32)
InChiKey: VZGXXNKOVRJPAJ-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-chloro-1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-N-(1-isopropyl-4-piperidyl)indole-2-carboxamide
4-chloro-1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-N-(1-isopropyl-4-piperidinyl)-2-indolecarboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor X	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
Echinococcus granulosus	cathepsin b	0.1016	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Loa Loa (eye worm)	fibroinase	0.0257	0.197	0.197
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.0043	0.0043
Echinococcus multilocularis	cathepsin b	0.1016	1	1
Echinococcus multilocularis	cathepsin b	0.1016	1	1
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1016	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Plasmodium vivax	vivapain-1	0.0147	0.0798	0.4054
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Entamoeba histolytica	cysteine proteinase, putative	0.0257	0.197	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Schistosoma mansoni	cathepsin F (C01 family)	0.0182	0.1171	0.1171
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1016	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0257	0.197	1
Onchocerca volvulus		0.0257	0.197	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Plasmodium vivax	unspecified product	0.0075	0.0043	0.0221
Onchocerca volvulus		0.0257	0.197	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.197	0.197
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0257	0.197	0.197
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Giardia lamblia	Cathepsin B precursor	0.0364	0.3093	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0798	0.4054
Onchocerca volvulus		0.0257	0.197	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.197	0.197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.1171	0.3787
Entamoeba histolytica	cysteine proteinase 2	0.0147	0.0798	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0182	0.1171	0.1171
Echinococcus granulosus	cathepsin l1	0.0182	0.1171	0.1171
Schistosoma mansoni	cathepsin F (C01 family)	0.0257	0.197	0.197
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0798	0.4054
Trypanosoma cruzi	cruzipain precursor, putative	0.0257	0.197	0.197
Onchocerca volvulus		0.0182	0.1171	0.5946
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Toxoplasma gondii	cathepsin B	0.0364	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Loa Loa (eye worm)	cysteine protease	0.0257	0.197	0.197
Brugia malayi	Cathepsin L-like precursor	0.0182	0.1171	0.1171
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Plasmodium vivax	vivapain-2	0.0257	0.197	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.0043	0.0043
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0364	0.3093	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0075	0.0043	0.0043
Entamoeba histolytica	cysteine proteinase, putative	0.0182	0.1171	0.5946
Plasmodium vivax	vivapain-3	0.0147	0.0798	0.4054
Onchocerca volvulus		0.0257	0.197	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Toxoplasma gondii	cathepsin CPL	0.0257	0.197	0.6368
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.197	0.197
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0257	0.197	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0257	0.197	0.6368
Echinococcus multilocularis	cathepsin L cysteine protease	0.0257	0.197	0.197
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1016	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0147	0.0798	0.0798
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0257	0.197	0.197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Brugia malayi	Papain family cysteine protease containing protein	0.0147	0.0798	0.0798
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0364	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Brugia malayi	Papain family cysteine protease containing protein	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Brugia malayi	cathepsin L-like precursor	0.0182	0.1171	0.1171
Onchocerca volvulus		0.0257	0.197	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0798	0.4054
Loa Loa (eye worm)	cathepsin B	0.0364	0.3093	0.3093
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.197	0.197
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1171	0.1171
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0182	0.1171	0.3787
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0364	0.3093	0.3093
Entamoeba histolytica	cysteine proteinase 1, putative	0.0147	0.0798	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0043	0.0043
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Echinococcus granulosus	cysteine protease	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Echinococcus multilocularis	cysteine protease	0.0257	0.197	0.197
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0182	0.1171	0.1171
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0798	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1016	1	1
Echinococcus granulosus	cathepsin b	0.1016	1	1
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Loa Loa (eye worm)	hypothetical protein	0.1016	1	1
Plasmodium vivax	vivapain-2	0.0257	0.197	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1016	1	1
Plasmodium vivax	unspecified product	0.0147	0.0798	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Echinococcus multilocularis	cathepsin L	0.0147	0.0798	0.0798
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0364	0.3093	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0257	0.197	0.197
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0043	0.0043
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0043	0.0043
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Trypanosoma cruzi	cysteine peptidase, putative	0.0257	0.197	0.197
Echinococcus multilocularis	cathepsin L cysteine protease	0.0257	0.197	0.197
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1171	0.1171
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0147	0.0798	0.4054
Giardia lamblia	Cathepsin B precursor	0.0364	0.3093	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0147	0.0798	0.0798
Brugia malayi	Papain family cysteine protease containing protein	0.0257	0.197	0.197
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Trypanosoma cruzi	cysteine proteinase, putative	0.0147	0.0798	0.0798
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Echinococcus multilocularis	cysteine protease	0.0257	0.197	0.197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Onchocerca volvulus		0.0257	0.197	1
Schistosoma mansoni	cathepsin s	0.0075	0.0043	0.0043
Echinococcus granulosus	cathepsin l1	0.0257	0.197	0.197
Onchocerca volvulus	Cathepsin F homolog	0.0257	0.197	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0257	0.197	0.197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Schistosoma mansoni	cathepsin F (C01 family)	0.0257	0.197	0.197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Echinococcus granulosus	cathepsin L	0.0147	0.0798	0.0798
Trypanosoma cruzi	cysteine proteinase, putative	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.0798	0.2582
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0257	0.197	0.5104
Onchocerca volvulus		0.0257	0.197	1
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0257	0.197	0.6368
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0257	0.197	0.197
Trypanosoma cruzi	cysteine protease, putative	0.0147	0.0798	0.0798
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.0798	0.0798
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0798	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0182	0.1171	0.1171
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0257	0.197	0.6368
Loa Loa (eye worm)	ctsf protein	0.0257	0.197	0.197
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1171	0.1171
Entamoeba histolytica	cysteine proteinase, putative	0.0257	0.197	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0257	0.197	0.6368
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0257	0.197	0.197
Onchocerca volvulus	Cathepsin L homolog	0.0257	0.197	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0364	0.3093	0.3093
Brugia malayi	Cathepsin L-like precursor	0.0257	0.197	0.197
Entamoeba histolytica	cysteine protease, putative	0.0257	0.197	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0257	0.197	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0075	0.0043	0.0043
Brugia malayi	Cathepsin L-like precursor	0.0075	0.0043	0.0043
Brugia malayi	cathepsin F-like cysteine proteinase	0.0075	0.0043	0.0043
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.0798	0.2582
Giardia lamblia	Cathepsin B precursor	0.0364	0.3093	1
Onchocerca volvulus	Cathepsin L homolog	0.0257	0.197	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7 nM	Binding affinity for human factor Xa	ChEMBL.	15999990
Ki (binding)	= 7 nM	Binding affinity for human factor Xa	ChEMBL.	15999990

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

PubChem: 11226109

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 329749