TDR Targets

Basic information

Technical information

TDR Targets ID: 1308891
Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-5 ,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
MW: 322.788 | Formula: C14H12ClFN4S
H donors: 0 H acceptors: 3 LogP: 3.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)Cl)CSc1nn2c(n1)nc(cc2C)C
InChi: 1S/C14H12ClFN4S/c1-8-5-9(2)20-13(17-8)18-14(19-20)21-7-10-3-4-11(16)6-12(10)15/h3-6H,7H2,1-2H3
InChiKey: ZLZQQOCFBZXLOG-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-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
2-[(2-chloro-4-fluorophenyl)methylthio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
2-[(2-chloro-4-fluoro-benzyl)thio]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
ZINC00217119
T5278508

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	geminin	0.0171	0.3451	0.3451
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0591	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0521	0.1791
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0929	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0591	0.2042
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0729	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0929	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.2629	0.7618
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.0906	0.0906
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.1881	0.669
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.0293	0.0644
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0929	0.0929
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0591	0.0591
Schistosoma mansoni	hypothetical protein	0.0032	0.0293	0.0849
Brugia malayi	Bromodomain containing protein	0.0038	0.0423	0.1128
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0929	1
Schistosoma mansoni	hypothetical protein	0.007	0.1146	0.3321
Schistosoma mansoni	hypothetical protein	0.002	0.0024	0.0069
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0729	0.5
Schistosoma mansoni	hypothetical protein	0.0032	0.0293	0.0849
Echinococcus multilocularis	neuropeptide s receptor	0.0458	1	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0067	0.0067
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0369	0.0369
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0729	0.0729
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0729	0.5
Brugia malayi	RNA binding protein	0.0142	0.28	1
Schistosoma mansoni	eukaryotic translation initiation factor 4h	0.0142	0.28	0.8113
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0729	0.0729
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.0293	0.0644
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0929	0.0929
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0369	0.0369
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0729	0.0729
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0067	0.0067
Echinococcus multilocularis	GPCR, family 2	0.0032	0.0293	0.0293
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0729	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1301	0.3771
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0729	0.5
Brugia malayi	Bromodomain containing protein	0.0074	0.1251	0.4221
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.2629	0.7618
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0929	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1301	0.3771
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0032	0.0293	0.0293
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0591	0.1712
Schistosoma mansoni	bromodomain containing protein	0.0063	0.0987	0.286
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1301	0.4407
Echinococcus granulosus	GPCR family 2	0.0032	0.0293	0.0293
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0729	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1881	0.669
Loa Loa (eye worm)	hypothetical protein	0.007	0.1146	0.4042
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0729	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.1881	0.6571
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.0906	0.0906
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0591	0.1712
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0067	0.0194
Brugia malayi	RNA binding protein	0.0076	0.1301	0.4407
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1301	0.3771
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0591	0.0591
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.1146	0.3827
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.1881	0.6571
Echinococcus multilocularis	neuropeptide receptor A26	0.0458	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1301	0.3771
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0729	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0591	0.1756
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0591	0.0591
Schistosoma mansoni	hypothetical protein	0.0032	0.0293	0.0849
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0929	0.5
Schistosoma mansoni	hypothetical protein	0.0171	0.3451	1
Schistosoma mansoni	hypothetical protein	0.0032	0.0293	0.0849
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0729	0.5
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1301	0.1301
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1301	0.4602
Trypanosoma brucei	protein kinase, putative	0.0051	0.0729	0.5
Echinococcus granulosus	Eukaryotic translation initiation factor 4H	0.0142	0.28	0.28
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0729	0.5
Schistosoma mansoni	hypothetical protein	0.0171	0.3451	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.2401	0.2401
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0032	0.0293	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0293	0.0969
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0591	0.1712
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0032	0.0293	0.0293
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0929	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0729	0.2539
Brugia malayi	TAR-binding protein	0.0076	0.1301	0.4407
Schistosoma mansoni	eukaryotic translation initiation factor 4h	0.0142	0.28	0.8113
Loa Loa (eye worm)	hypothetical protein	0.004	0.0478	0.1635
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0729	0.0729
Echinococcus granulosus	geminin	0.0171	0.3451	0.3451
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0929	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0142	0.28	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.2401	0.2401
Echinococcus granulosus	neuropeptide receptor A26	0.0458	1	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1301	0.4602
Echinococcus multilocularis	Eukaryotic translation initiation factor 4H	0.0142	0.28	0.28
Brugia malayi	MAP kinase sur-1	0.0051	0.0729	0.227
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0729	0.2111
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0424	0.1443
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0929	0.2692
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0032	0.0293	0.0293
Loa Loa (eye worm)	hypothetical protein	0.007	0.1155	0.4075
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0135	0.2629	0.2629
Schistosoma mansoni	eukaryotic translation initiation factor 4h	0.0142	0.28	0.8113
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.0293	0.0969
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1301	0.4602
Schistosoma mansoni	hypothetical protein	0.0125	0.2401	0.6957
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1301	0.1301
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1301	0.3771

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1424379

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 1308891