TDR Targets

Basic information

Technical information

TDR Targets ID: 1703736
Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol -3-yl]thio]-N-(tetrahydrofurfuryl)acetamide
MW: 364.486 | Formula: C16H20N4O2S2
H donors: 1 H acceptors: 3 LogP: 1.86 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CSc1nnc(n1C1CC1)c1cccs1)NCC1CCCO1
InChi: 1S/C16H20N4O2S2/c21-14(17-9-12-3-1-7-22-12)10-24-16-19-18-15(13-4-2-8-23-13)20(16)11-5-6-11/h2,4,8,11-12H,1,3,5-7,9-10H2,(H,17,21)
InChiKey: HQEVREPDLGWCFM-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

Z90102081

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0185	0.1458	1
Echinococcus multilocularis	geminin	0.0174	0.1365	0.5283
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0185	0.1458	0.1316
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0419	0.347	0.3361
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0198	0.0766
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0183	0.1444	0.1928
Mycobacterium tuberculosis	Probable lipase LipE	0.0185	0.1458	0.1316
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0198	0.0765
Brugia malayi	Inositol-1	0.0038	0.0198	0.1358
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0198	0.0221
Trichomonas vaginalis	penicillin-binding protein, putative	0.0185	0.1458	0.2237
Echinococcus granulosus	geminin	0.0174	0.1365	0.5283
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0347	0.1343
Mycobacterium tuberculosis	Class a beta-lactamase BlaC	0.0136	0.1041	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Loa Loa (eye worm)	beta-lactamase	0.0185	0.1458	0.5644
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0106	0.041
Mycobacterium ulcerans	lipase LipD	0.0185	0.1458	0.1949
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0419	0.347	0.5379
Schistosoma mansoni	lamin	0.0028	0.011	0.0425
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0198	0.0221
Echinococcus multilocularis	lamin	0.0028	0.011	0.0425
Mycobacterium tuberculosis	Conserved protein	0.0185	0.1458	0.1316
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0749	0.6309	1
Mycobacterium leprae	Probable lipase LipE	0.0185	0.1458	0.2106
Plasmodium vivax	importin-beta 2, putative	0.003	0.0127	0.0479
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0198	0.0765
Chlamydia trachomatis	transglycolase/transpeptidase	0.0702	0.59	1
Mycobacterium tuberculosis	Conserved protein	0.0185	0.1458	0.1316
Trichomonas vaginalis	esterase, putative	0.0185	0.1458	0.2237
Schistosoma mansoni	ran	0.0022	0.006	0.0229
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0183	0.1444	0.2083
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0038	0.0198	0.0766
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0347	0.1343
Loa Loa (eye worm)	hypothetical protein	0.0015	0	0.0002
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0185	0.1458	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0185	0.1458	0.5643
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.006	0.0409
Echinococcus granulosus	lamin dm0	0.0028	0.011	0.0425
Echinococcus multilocularis	ubiquitin specific protease 41	0.0038	0.0198	0.0766
Schistosoma mansoni	hypothetical protein	0.0174	0.1365	0.5283
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.006	0.0229
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0291	0.2375	0.2248
Mycobacterium tuberculosis	Conserved protein	0.0185	0.1458	0.1316
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0347	0.1343
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0419	0.347	0.5061
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Leishmania major	hypothetical protein, conserved	0.0185	0.1458	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0038	0.0198	1
Mycobacterium leprae	PROBABLE CONSERVED LIPOPROTEIN LPQF	0.0065	0.0434	0.0439
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0185	0.1458	0.1316
Brugia malayi	RNA, U transporter 1	0.0084	0.0595	0.408
Mycobacterium tuberculosis	Probable lipase LipD	0.0185	0.1458	0.1316
Mycobacterium ulcerans	beta-lactamase	0.0185	0.1458	0.1949
Echinococcus granulosus	snurportin 1	0.0316	0.2583	1
Schistosoma mansoni	importin beta-1	0.003	0.0127	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0028	0.011	0.0427
Trypanosoma brucei	beta lactamase	0.0065	0.0434	0.2675
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.0198	0.9972
Schistosoma mansoni	lamin	0.0028	0.011	0.0425
Schistosoma mansoni	intermediate filament proteins	0.0028	0.011	0.0425
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0185	0.1458	0.5643
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0458	0.3807	0.3704
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0316	0.2583	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.011	0.0756
Mycobacterium tuberculosis	Probable esterase LipL	0.0185	0.1458	0.1316
Trichomonas vaginalis	conserved hypothetical protein	0.0749	0.6309	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0198	0.099
Echinococcus multilocularis	musashi	0.0028	0.011	0.0425
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.006	0.0229
Plasmodium vivax	hypothetical protein, conserved	0.0185	0.1458	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0038	0.0198	0.0766
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0347	0.1343
Mycobacterium leprae	conserved hypothetical protein	0.0185	0.1458	0.2106
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0749	0.6309	0.9454
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.011	0.0427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0347	0.1343
Trichomonas vaginalis	D-aminoacylase, putative	0.0185	0.1458	0.2237
Trichomonas vaginalis	D-aminoacylase, putative	0.0185	0.1458	0.2237
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0075	0.0521	0.2016
Echinococcus granulosus	importin subunit beta 1	0.003	0.0127	0.0489
Loa Loa (eye worm)	hypothetical protein	0.003	0.0127	0.049
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0185	0.1458	0.5644
Echinococcus multilocularis	lamin dm0	0.0028	0.011	0.0425
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0198	0.0768
Mycobacterium tuberculosis	Probable hydrolase	0.0185	0.1458	0.1316
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0198	0.099
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0127	0.0489
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0198	0.099
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0198	0.099
Brugia malayi	beta-lactamase family protein	0.0185	0.1458	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.011	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Trypanosoma cruzi	hypothetical protein, conserved	0.0185	0.1458	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0347	0.1344
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0233	0.1878	0.2789
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0075	0.0521	0.2016
Schistosoma mansoni	hypothetical protein	0.0174	0.1365	0.5283
Mycobacterium ulcerans	class a beta-lactamase, BlaC	0.0136	0.1041	0.1305
Trichomonas vaginalis	penicillin-binding protein, putative	0.0185	0.1458	0.2237
Echinococcus granulosus	intermediate filament protein	0.0028	0.011	0.0425
Schistosoma mansoni	hypothetical protein	0.0316	0.2583	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0198	0.0765
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0185	0.1458	0.1949
Trichomonas vaginalis	D-aminoacylase, putative	0.0185	0.1458	0.2237
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0198	0.0992
Brugia malayi	intermediate filament protein	0.0028	0.011	0.0756
Onchocerca volvulus		0.0185	0.1458	1
Mycobacterium ulcerans	multidrugs-transport integral membrane protein Mmr-like	0.0791	0.6662	1
Mycobacterium ulcerans	multidrug-transport integral membrane protein Mmr	0.0199	0.1583	0.2142
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0079	0.003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0347	0.1343
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.006	0.0231
Onchocerca volvulus		0.0185	0.1458	1
Treponema pallidum	penicillin-binding protein (pbp-1)	0.0702	0.59	0.0472
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0198	0.099
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0749	0.6309	1
Loa Loa (eye worm)	inositol-1	0.0038	0.0198	0.0767
Mycobacterium ulcerans	esterase/lipase LipP	0.0185	0.1458	0.1949
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0198	0.0766
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqF	0.0065	0.0434	0.0274
Plasmodium falciparum	importin beta, putative	0.003	0.0127	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0185	0.1458	0.5643
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0198	0.0765
Entamoeba histolytica	hypothetical protein	0.0024	0.0079	0.137
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0198	0.0992
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0185	0.1458	0.1316
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0038	0.0198	0.0766
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0198	0.0221
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0127	0.0479
Trichomonas vaginalis	importin beta-1, putative	0.0024	0.0079	0.003
Brugia malayi	Importin beta-1 subunit	0.003	0.0127	0.0869
Brugia malayi	beta-lactamase family protein	0.0185	0.1458	1
Leishmania major	importin beta-1 subunit, putative	0.0024	0.0079	0.0136
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0198	0.0222
Echinococcus multilocularis	snurportin 1	0.0316	0.2583	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.1458	0.5644
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0127	0.0479
Toxoplasma gondii	ABC1 family protein	0.0185	0.1458	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0038	0.0198	0.0992
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0038	0.0198	0.0992
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0699	0.588	0.879
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0198	0.0222
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0183	0.1444	0.1302
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0038	0.0198	0.0766
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0347	0.2382
Mycobacterium ulcerans	lipoprotein LpqF	0.0065	0.0434	0.0365
Schistosoma mansoni	ran	0.0022	0.006	0.0229
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0024	0.0079	0.003
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0127	0.0479
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0038	0.0198	0.0222
Trypanosoma cruzi	hypothetical protein, conserved	0.0185	0.1458	1
Brugia malayi	beta-lactamase	0.0185	0.1458	1
Echinococcus granulosus	lamin	0.0028	0.011	0.0425
Echinococcus granulosus	beta LACTamase domain containing family member	0.0185	0.1458	0.5643
Echinococcus granulosus	ubiquitin specific protease 41	0.0038	0.0198	0.0766
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0458	0.3807	0.5929
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0347	0.1343
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsI	0.0702	0.59	1
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0233	0.1878	0.1743
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0038	0.0198	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0024	0.0079	0.0136
Trypanosoma brucei	hypothetical protein, conserved	0.0185	0.1458	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0038	0.0198	0.1361
Mycobacterium ulcerans	hypothetical protein	0.0185	0.1458	0.1949
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0458	0.3807	0.5583

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.7943 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	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: CHEMBL2141086

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 1703736