TDR Targets

Basic information

Technical information

TDR Targets ID: 1341045
Name: 5-[(2-chlorophenyl)-morpholin-4-ylmethyl]-2-f uran-2-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol- 6-ol
MW: 416.881 | Formula: C19H17ClN4O3S
H donors: 1 H acceptors: 3 LogP: 3.41 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1C(c1sc2n(c1O)nc(n2)c1ccco1)N1CCOCC1
InChi: 1S/C19H17ClN4O3S/c20-13-5-2-1-4-12(13)15(23-7-10-26-11-8-23)16-18(25)24-19(28-16)21-17(22-24)14-6-3-9-27-14/h1-6,9,15,25H,7-8,10-11H2
InChiKey: NRZGKBLVCFWMQZ-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

5-[(2-chlorophenyl)-morpholino-methyl]-2-(2-furyl)thiazolo[2,3-e][1,2,4]triazol-6-ol
5-[(2-chlorophenyl)-morpholinomethyl]-2-(2-furyl)-6-thiazolo[2,3-e][1,2,4]triazolol
5-[(2-chlorophenyl)-morpholin-4-yl-methyl]-2-furan-2-yl-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol
NCGC00137492-01
G857-1723

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723

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	intracellular kinase	0.01	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0735	0.0735
Loa Loa (eye worm)	hypothetical protein	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0091	0.0232	0.0232
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.01	0.033	0.033
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0134	0.0735	0.0735
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0102	0.0356	0.0356
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0497	0.5026	0.5026
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0731	0.7797	0.7797
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0155	0.099	0.099
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0918	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0496	0.5017	0.5017
Toxoplasma gondii	FATC domain-containing protein	0.0176	0.1233	0.1705
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.031	0.2814	0.2814
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.2814	0.2814
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0091	0.0232	0.0232
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0918	1	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.01	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1466	0.1466
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.031	0.2814	0.2814
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0091	0.0232	0.0232
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0155	0.099	0.099
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0383	0.3679	0.3679
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0502	0.0502
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.01	0.033	0.033
Leishmania major	phosphatidylinositol 3-kinase, putative	0.031	0.2814	0.2814
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0918	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0155	0.099	0.099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0176	0.1233	0.1233
Loa Loa (eye worm)	phosphatidylinositol 3	0.031	0.2814	0.2814
Plasmodium falciparum	glycogen synthase kinase 3	0.01	0.033	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0918	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.01	0.033	0.0457
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0093	0.0258	0.0258
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0091	0.0232	0.0232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0496	0.5017	0.5017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.055	0.5648	0.5648
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.024	0.1992	0.1992
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0918	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0731	0.7797	0.7797
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0121	0.0589	0.0589
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0155	0.099	0.099
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0176	0.1233	0.1233
Trichomonas vaginalis	conserved hypothetical protein	0.0134	0.0735	0.0735
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0918	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0918	1	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.01	0.033	0.033
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0106	0.0401	0.0286
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0196	0.1466	0.2028
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0125	0.0633	0.0633
Entamoeba histolytica	hypothetical protein	0.0176	0.1233	0.1233
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.024	0.1992	0.1992
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0918	1	1
Echinococcus granulosus	serine protein kinase ATM	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0617	0.644	0.644
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0731	0.7788	0.7788
Entamoeba histolytica	protein kinase rad3, putative	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0121	0.0589	0.0589
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0683	0.7229	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0918	1	1
Echinococcus granulosus	protein kinase shaggy	0.01	0.033	0.033
Brugia malayi	FAT domain containing protein	0.0134	0.0735	0.0735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0497	0.5026	0.5026
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0731	0.7788	0.7788
Onchocerca volvulus		0.01	0.033	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0176	0.1233	0.1233
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0134	0.0735	0.0735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0176	0.1233	0.1233
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0125	0.0633	0.0633
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0731	0.7788	0.7788
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0155	0.099	0.099
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0091	0.0232	0.0232
Echinococcus multilocularis	serine protein kinase ATM	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.055	0.5648	0.5648
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0121	0.0589	0.0589
Entamoeba histolytica	hypothetical protein	0.0136	0.0757	0.0757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0496	0.5017	0.5017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0544	0.5584	0.5584
Entamoeba histolytica	protein kinase domain containing protein	0.01	0.033	0.033
Echinococcus multilocularis	protein kinase shaggy	0.01	0.033	0.033
Giardia lamblia	GTOR	0.0918	1	1
Trypanosoma brucei	protein kinase, putative	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0176	0.1233	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.2814	0.2814
Trichomonas vaginalis	PIKK family atypical protein kinase	0.055	0.5648	0.5648
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.031	0.2814	0.2814
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.031	0.2814	0.2814
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.024	0.1992	0.1992
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0918	1	1
Giardia lamblia	Kinase, CMGC GSK	0.01	0.033	0.0215
Trichomonas vaginalis	conserved hypothetical protein	0.0114	0.0502	0.0502
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.031	0.2814	0.2814
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0155	0.099	0.099
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0091	0.0232	0.0232
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.2814	0.2814
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0176	0.1233	0.1233
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.031	0.2814	0.2814
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0176	0.1233	0.1233
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0731	0.7797	0.7797
Loa Loa (eye worm)	phosphatidylinositol 3	0.0918	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.2814	0.2814
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0114	0.0502	0.0502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.031	0.2814	0.2814
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0155	0.099	0.099
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0085	0.0156	0.0156
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0597	0.6207	0.6207
Loa Loa (eye worm)	phosphatidylinositol 3	0.022	0.176	0.176
Schistosoma mansoni	hypothetical protein	0.0134	0.0735	0.0735
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0544	0.5584	0.5584
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0248	0.2089	0.2089
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0091	0.0232	0.0232
Entamoeba histolytica	protein kinase domain containing protein	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0918	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0918	1	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.1358	0.1358
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.031	0.2814	0.2814
Giardia lamblia	Kinase, CMGC GSK	0.01	0.033	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0114	0.0502	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0589	0.0589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0731	0.7788	0.7788
Trichomonas vaginalis	CMGC family protein kinase	0.01	0.033	0.033
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0436	0.4301	0.4301
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0091	0.0232	0.0232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0784	0.8419	0.8419
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.031	0.2814	0.2814
Plasmodium vivax	glycogen synthase kinase 3, putative	0.01	0.033	1
Trichomonas vaginalis	CMGC family protein kinase	0.01	0.033	0.033
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0918	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0731	0.7788	0.7788
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0176	0.1233	0.1233
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0091	0.0232	0.0232
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0497	0.5026	0.5026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0176	0.1233	0.1233
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.031	0.2814	0.2814
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0918	1	1
Entamoeba histolytica	protein kinase, putative	0.01	0.033	0.033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0497	0.5026	0.5026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0683	0.7229	0.7229
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0136	0.0757	0.0757
Trichomonas vaginalis	conserved hypothetical protein	0.0196	0.1466	0.1466
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0176	0.1233	0.1233

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (binding)	= 354.8134 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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: CHEMBL1483586

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1341045