TDR Targets

Basic information

Technical information

TDR Targets ID: 1245630
Name: 4-amino-N'-(furan-2-ylmethyl)-N'-[1-(4-hydrox yphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethy l]-1,2-thiazole-3,5-dicarboxamide
MW: 499.54 | Formula: C23H25N5O6S
H donors: 4 H acceptors: 5 LogP: 1.55 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)C(N(C(=O)c1snc(c1N)C(=O)N)Cc1ccco1)C(=O)NCC1CCCO1
InChi: 1S/C23H25N5O6S/c24-17-18(21(25)30)27-35-20(17)23(32)28(12-16-4-2-10-34-16)19(13-5-7-14(29)8-6-13)22(31)26-11-15-3-1-9-33-15/h2,4-8,10,15,19,29H,1,3,9,11-12,24H2,(H2,25,30)(H,26,31)
InChiKey: HEFPVZSUQRNDRE-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-amino-N'-(2-furylmethyl)-N'-[1-(4-hydroxyphenyl)-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide
4-amino-N'-(2-furylmethyl)-N'-[1-(4-hydroxyphenyl)-2-oxo-2-(2-tetrahydrofuranylmethylamino)ethyl]isothiazole-3,5-dicarboxamide
4-amino-N'-(2-furylmethyl)-N'-[1-(4-hydroxyphenyl)-2-keto-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide
ASN 03779985
Oprea1_801873

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
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0018	0.0824	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Echinococcus granulosus	lamin dm0	0.0029	0.2818	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0634	0.0871
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Onchocerca volvulus		0.0029	0.2818	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Plasmodium vivax	vivapain-2	0.0018	0.0824	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0824	0.2673
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0018	0.0824	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0824	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Echinococcus multilocularis	cysteine protease	0.0018	0.0824	0.2673
Schistosoma mansoni	lamin	0.0029	0.2818	0.6116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.2721	0.3738
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0018	0.0824	0.053
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0634	0.1977
Leishmania major	cathepsin L-like protease	0.0068	1	1
Loa Loa (eye worm)	cysteine protease	0.0018	0.0824	0.1131
Onchocerca volvulus		0.0029	0.2818	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.7337	0.7098
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Schistosoma mansoni	intermediate filament proteins	0.0029	0.2818	0.6116
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0634	0.1977
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0376	0.0516
Echinococcus multilocularis	lamin dm0	0.0029	0.2818	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0096	0.0132
Plasmodium vivax	vivapain-2	0.0018	0.0824	0.5
Echinococcus multilocularis	cysteine protease	0.0018	0.0824	0.2673
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0634	0.1977
Schistosoma mansoni	lamin	0.0029	0.2818	0.6116
Echinococcus granulosus	intermediate filament protein	0.0029	0.2818	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0634	0.0375
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.7281	1
Entamoeba histolytica	cysteine protease, putative	0.0018	0.0824	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0018	0.0824	0.2673
Loa Loa (eye worm)	hypothetical protein	0.0029	0.2818	0.387
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0634	0.0871
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0824	0.2673
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0018	0.0824	0.1131
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Toxoplasma gondii	cathepsin CPL	0.0018	0.0824	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0018	0.0824	0.1131
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0018	0.0824	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.4204	0.5545
Loa Loa (eye worm)	hypothetical protein	0.0053	0.7281	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Echinococcus multilocularis	lamin	0.0029	0.2818	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0634	0.0375
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.7281	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0018	0.0824	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Loa Loa (eye worm)	fibroinase	0.0018	0.0824	0.1131
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0634	0.1977
Echinococcus multilocularis	cathepsin L cysteine protease	0.0018	0.0824	0.2673
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.2818	0.387
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Loa Loa (eye worm)	ctsf protein	0.0018	0.0824	0.1131
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0018	0.0824	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0634	0.1977
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.2818	0.3537
Echinococcus granulosus	cathepsin l1	0.0018	0.0824	0.2673
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.7281	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Brugia malayi	Cathepsin L-like precursor	0.0018	0.0824	0.0649
Brugia malayi	Papain family cysteine protease containing protein	0.0018	0.0824	0.0649
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0018	0.0824	0.2673
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0824	0.1131
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0018	0.0824	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0018	0.0824	0.5
Echinococcus granulosus	lamin	0.0029	0.2818	1
Echinococcus granulosus	GPCR family 2	0.0017	0.0634	0.1977
Echinococcus multilocularis	musashi	0.0029	0.2818	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	1	0.5
Brugia malayi	intermediate filament protein	0.0029	0.2818	0.3537
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.2818	0.387
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.892	0.8824
Leishmania major	cathepsin L-like protease	0.0068	1	1
Schistosoma mansoni	hypothetical protein	0.0036	0.4204	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0018	0.0824	0.2673
Loa Loa (eye worm)	hypothetical protein	0.0036	0.4204	0.5775

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	20.5878 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	31.6228 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference

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: CHEMBL1352393

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1245630