TDR Targets

Basic information

Technical information

TDR Targets ID: 1332591
Name: 2-[3-(cyclohexylcarbamoylamino)-8-azabicyclo[ 3.2.1]octan-8-yl]-N-cyclopropylacetamide hydr ochloride
MW: 384.944 | Formula: C19H33ClN4O2
H donors: 3 H acceptors: 2 LogP: 3.09 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CCCCC1)NC1CC2CCC(C1)N2CC(=O)NC1CC1.Cl
InChi: 1S/C19H32N4O2.ClH/c24-18(20-14-6-7-14)12-23-16-8-9-17(23)11-15(10-16)22-19(25)21-13-4-2-1-3-5-13;/h13-17H,1-12H2,(H,20,24)(H2,21,22,25);1H
InChiKey: GSLLMBHVDOWLPK-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-[3-(cyclohexylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-cyclopropyl-acetamide hydrochloride
2-[3-[[(cyclohexylamino)-oxomethyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]-N-cyclopropylacetamide hydrochloride
2-[3-(cyclohexylcarbamoylamino)-8-azabicyclo[3.2.1]octan-8-yl]-N-cyclopropyl-ethanamide hydrochloride
2-[3-(3-Cyclohexyl-ureido)-8-aza-bicyclo[3.2.1]oct-8-yl]-N-cyclopropyl-acetamide
MLS000030199
SMR000006686

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 japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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 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
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
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
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
Trichomonas vaginalis	heat shock protein, putative	0.0867	0.345	0.345
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.1414	1	1
Plasmodium vivax	endoplasmin, putative	0.1414	1	1
Loa Loa (eye worm)	heat shock protein 90	0.1414	1	1
Plasmodium vivax	heat shock protein 86, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Echinococcus granulosus	heat shock protein 90	0.1414	1	1
Loa Loa (eye worm)	endoplasmin	0.1414	1	1
Trichomonas vaginalis	endoplasmin, putative	0.0867	0.345	0.345
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.1126	0.655	0.655
Trichomonas vaginalis	heat shock protein, putative	0.1126	0.655	0.655
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Trichomonas vaginalis	heat shock protein, putative	0.1414	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.1126	0.655	0.655
Entamoeba histolytica	heat shock protein 90, putative	0.1414	1	1
Schistosoma mansoni	heat shock protein	0.1414	1	1
Toxoplasma gondii	heat shock protein HSP90	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1126	0.655	0.655
Trichomonas vaginalis	heat shock protein, putative	0.1126	0.655	0.655
Toxoplasma gondii	heat shock protein 90, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1414	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.1414	1	1
Brugia malayi	heat shock protein 90	0.1414	1	1
Trypanosoma brucei	Heat shock protein 83, putative	0.1414	1	1
Trichomonas vaginalis	heat shock protein, putative	0.1126	0.655	0.655
Plasmodium falciparum	heat shock protein 90	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Echinococcus granulosus	endoplasmin	0.1126	0.655	0.655
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1414	1	1
Echinococcus granulosus	heat shock protein 90	0.1126	0.655	0.655
Echinococcus multilocularis	heat shock protein 90	0.1414	1	1
Schistosoma mansoni	endoplasmin	0.1414	1	1
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0834	0.3058	0.3058
Echinococcus multilocularis	endoplasmin	0.1126	0.655	0.655
Echinococcus multilocularis	heat shock protein 90	0.1126	0.655	0.655
Treponema pallidum	heat shock protein 90	0.1126	0.655	0.5
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.1126	0.655	0.5
Leishmania major	heat shock protein 83-1	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.1414	1	1
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.1126	0.655	0.655
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.1126	0.655	0.5
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.1126	0.655	0.5
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0579	0	0.5
Echinococcus multilocularis	heat shock protein	0.1414	1	1
Mycobacterium ulcerans	heat shock protein 90	0.1126	0.655	0.5
Echinococcus granulosus	heat shock protein	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Schistosoma mansoni	heat shock protein	0.1414	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.1414	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1414	1	1
Plasmodium falciparum	endoplasmin, putative	0.0867	0.345	0.345
Schistosoma mansoni	endoplasmin	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1414	1	1
Trypanosoma brucei	heat shock protein, putative	0.1414	1	1
Leishmania major	heat shock protein 83-1	0.1414	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 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)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1423065

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 1332591