TDR Targets

Basic information

Technical information

TDR Targets ID: 794124
Name: N-[4-[4-(1-adamantyl)piperazin-1-yl]sulfonylp henyl]acetamide
MW: 417.565 | Formula: C22H31N3O3S
H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
InChi: 1S/C22H31N3O3S/c1-16(26)23-20-2-4-21(5-3-20)29(27,28)25-8-6-24(7-9-25)22-13-17-10-18(14-22)12-19(11-17)15-22/h2-5,17-19H,6-15H2,1H3,(H,23,26)
InChiKey: VGTYDUCMRFYZMO-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

N-[4-[[4-(1-adamantyl)-1-piperazinyl]sulfonyl]phenyl]acetamide
N-[4-[4-(1-adamantyl)piperazin-1-yl]sulfonylphenyl]ethanamide
MLS000085878
N-(4-{[4-(1-adamantyl)piperazin-1-yl]sulfonyl}phenyl)acetamide
SMR000021207
A2938/0123705

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 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
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	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 granulosus	guanine nucleotide binding protein Gs 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
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

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		0.0093	0.4176	1
Loa Loa (eye worm)	hypothetical protein	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Echinococcus multilocularis	cysteine protease	0.0093	0.4176	0.4176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0061	0.1126	0.1126
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1329	0.0837
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1329	0.0837
Schistosoma mansoni	cathepsin F (C01 family)	0.0093	0.4176	0.4176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0093	0.4176	0.4176
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0537	0.0537
Brugia malayi	Cathepsin L-like precursor	0.0063	0.1329	0.1329
Echinococcus granulosus	cathepsin l1	0.0063	0.1329	0.1329
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0061	0.1126	0.1126
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0153	1	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Entamoeba histolytica	cysteine proteinase, putative	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0537	0.0537
Trypanosoma cruzi	cysteine peptidase, putative	0.0093	0.4176	0.4176
Onchocerca volvulus		0.0093	0.4176	1
Echinococcus multilocularis	cathepsin b	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0063	0.1329	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Loa Loa (eye worm)	hypothetical protein	0.0093	0.4176	0.3846
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0093	0.4176	0.3846
Giardia lamblia	Cathepsin B precursor	0.0061	0.1126	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Onchocerca volvulus		0.0093	0.4176	1
Toxoplasma gondii	cathepsin CPL	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Loa Loa (eye worm)	cathepsin B	0.0061	0.1126	0.0623
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0537	0.0537
Onchocerca volvulus		0.0093	0.4176	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0093	0.4176	0.3846
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0063	0.1329	0.1329
Plasmodium vivax	vivapain-2	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0093	0.4176	0.4176
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0093	0.4176	1
Onchocerca volvulus	Cathepsin L homolog	0.0093	0.4176	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0537	0.0537
Trypanosoma cruzi	cruzipain precursor, putative	0.0093	0.4176	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0093	0.4176	0.4176
Brugia malayi	Cathepsin L-like precursor	0.0063	0.1329	0.1329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0537	0.0537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Loa Loa (eye worm)	fibroinase	0.0093	0.4176	0.3846
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0153	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0537	0.0537
Onchocerca volvulus	Cathepsin F homolog	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0063	0.1329	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Onchocerca volvulus	Cathepsin L homolog	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0093	0.4176	0.4176
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0153	1	1
Entamoeba histolytica	cysteine protease, putative	0.0093	0.4176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0093	0.4176	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0061	0.1126	0.2697
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1329	0.0837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0153	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0063	0.1329	0.1329
Loa Loa (eye worm)	cysteine protease	0.0093	0.4176	0.3846
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Loa Loa (eye worm)	ctsf protein	0.0093	0.4176	0.3846
Onchocerca volvulus		0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0537	0.0537
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0093	0.4176	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0537	0.0537
Echinococcus multilocularis	cathepsin L cysteine protease	0.0093	0.4176	0.4176
Giardia lamblia	Cathepsin B precursor	0.0061	0.1126	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Entamoeba histolytica	cysteine proteinase, putative	0.0093	0.4176	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0153	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0093	0.4176	0.4176
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0061	0.1126	0.2697
Brugia malayi	cathepsin L-like precursor	0.0063	0.1329	0.1329
Echinococcus granulosus	cathepsin l1	0.0093	0.4176	0.4176
Onchocerca volvulus		0.0093	0.4176	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Echinococcus multilocularis	cysteine protease	0.0093	0.4176	0.4176
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like precursor	0.0093	0.4176	0.4176
Entamoeba histolytica	cysteine proteinase, putative	0.0063	0.1329	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Plasmodium vivax	vivapain-2	0.0093	0.4176	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0093	0.4176	0.4176
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0093	0.4176	0.4176
Echinococcus granulosus	cathepsin b	0.0153	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Onchocerca volvulus		0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0093	0.4176	0.4176
Echinococcus granulosus	cathepsin b	0.0153	1	1
Echinococcus multilocularis	cathepsin b	0.0153	1	1
Giardia lamblia	Cathepsin B precursor	0.0061	0.1126	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0093	0.4176	1
Leishmania major	cathepsin L-like protease	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0063	0.1329	0.1329
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0093	0.4176	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0093	0.4176	1
Leishmania major	cysteine peptidase A (CPA)	0.0093	0.4176	1
Brugia malayi	Papain family cysteine protease containing protein	0.0093	0.4176	0.4176

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10.4179 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)	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

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: CHEMBL1873478
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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 794124