TDR Targets

Basic information

Technical information

TDR Targets ID: 1707682
Name: 7a-methyl-5-oxo-N-(5-pentan-3-yl-1,3,4-thiadi azol-2-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1 ,3]thiazole-3-carboxamide
MW: 354.491 | Formula: C15H22N4O2S2
H donors: 1 H acceptors: 4 LogP: 2.15 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(c1nnc(s1)NC(=O)C1CSC2(N1C(=O)CC2)C)CC
InChi: 1S/C15H22N4O2S2/c1-4-9(5-2)13-17-18-14(23-13)16-12(21)10-8-22-15(3)7-6-11(20)19(10)15/h9-10H,4-8H2,1-3H3,(H,16,18,21)
InChiKey: YJBOACQGPPFGQA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide
N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-5-keto-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxamide

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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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 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
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, 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

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
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0047	0.192	0.192
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.0066	0.2863	0.5
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0047	0.192	0.5
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0054	0.2248	0.5
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.2248	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.192	0.6822
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0054	0.2248	0.2248
Echinococcus granulosus	synaptic glycoprotein sc2	0.0047	0.192	0.192
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.2248	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.2248	1
Mycobacterium ulcerans	putative regulatory protein	0.0066	0.2863	1
Echinococcus multilocularis	geminin	0.0205	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2815	0.2815
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0054	0.2248	1
Onchocerca volvulus		0.0047	0.192	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.192	0.6822
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0054	0.2248	1
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0054	0.2248	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.2248	0.2248
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.2334	0.8291
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.2334	0.8291
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2334	0.2334
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.0066	0.2863	0.5
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0054	0.2248	1
Brugia malayi	Synaptic glycoprotein SC2	0.0047	0.192	0.6822
Loa Loa (eye worm)	FKBP5 protein	0.0054	0.2248	0.7985
Mycobacterium leprae	PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN	0.0066	0.2863	0.5
Trichomonas vaginalis	immunophilin, putative	0.0054	0.2248	1
Trichomonas vaginalis	fk506-binding protein, putative	0.0054	0.2248	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.2815	1
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0047	0.192	0.6822
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0054	0.2248	0.3473
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2815	0.2815
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.0066	0.2863	0.5
Brugia malayi	TAR-binding protein	0.0065	0.2815	1
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.2815	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0054	0.2248	0.7985
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.2248	1
Schistosoma mansoni	immunophilin	0.0054	0.2248	0.2248
Mycobacterium ulcerans	two component transcriptional regulator	0.0066	0.2863	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.192	0.6822
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0054	0.2248	1
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0054	0.2248	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.0066	0.2863	0.5
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0046	0.1869	0.1869
Loa Loa (eye worm)	RNA binding protein	0.0065	0.2815	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2815	0.2815
Schistosoma mansoni	immunophilin	0.0054	0.2248	0.2248
Loa Loa (eye worm)	hypothetical protein	0.0046	0.1869	0.6642
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2334	0.2334
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0047	0.192	0.192
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2815	0.2815
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.2815	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0047	0.192	0.5
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.0066	0.2863	0.5
Schistosoma mansoni	immunophilin	0.0046	0.1869	0.1869
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2334	0.2334
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0054	0.2248	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0047	0.192	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2334	0.2334
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0054	0.2248	0.7985
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0054	0.2248	0.2248
Echinococcus multilocularis	fk506 binding protein	0.0054	0.2248	0.2248
Leishmania major	fk506-binding protein 1-like protein	0.0054	0.2248	1
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0047	0.192	0.192
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.0066	0.2863	1
Echinococcus granulosus	tar DNA binding protein	0.0065	0.2815	0.2815
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0046	0.1869	0.1869
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0054	0.2248	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2334	0.2334
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.0066	0.2863	0.5
Schistosoma mansoni	hypothetical protein	0.0205	1	1
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0047	0.192	0.192
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.2815	0.2815
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2334	0.2334
Mycobacterium ulcerans	hypothetical protein	0.0066	0.2863	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0054	0.2248	1
Leishmania major	peptidylprolyl isomerase-like protein	0.0054	0.2248	1
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0047	0.192	0.192
Brugia malayi	RNA binding protein	0.0065	0.2815	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2334	0.2334
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.0066	0.2863	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.2815	0.2815
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0054	0.2248	0.2248
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0054	0.2248	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0054	0.2248	0.7985

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	12.5893 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

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: CHEMBL2134489

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 1707682