TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 386.774 | Formula: C13H14ClF3N2O4S
H donors: 0 H acceptors: 4 LogP: 0.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(C1CCS(=O)(=O)C1)C)Cn1cc(cc(c1=O)Cl)C(F)(F)F
InChi: 1S/C13H14ClF3N2O4S/c1-18(9-2-3-24(22,23)7-9)11(20)6-19-5-8(13(15,16)17)4-10(14)12(19)21/h4-5,9H,2-3,6-7H2,1H3
InChiKey: RGOIAAXLEHWMIU-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
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 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

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	guanine nucleotide binding protein G(s) subunit	0.0055	0.0693	0.0487
Schistosoma mansoni	TRABID protein (C64 family)	0.0096	0.1309	0.2952
Brugia malayi	YY1-associated factor 2	0.0096	0.1309	0.3249
Trypanosoma cruzi	WLM domain containing protein, putative	0.0096	0.1309	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0216	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.1309	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1309	0.3341
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1309	0.3341
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0053	0.0136
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0216	0.0552
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0096	0.1309	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1309	0.3341
Schistosoma mansoni	fusion	0.0096	0.1309	0.2952
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0693	0.1656
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Leishmania major	hypothetical protein, conserved	0.0096	0.1309	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0096	0.1309	0.3249
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1309	0.3341
Echinococcus multilocularis	zinc finger protein Ran binding	0.0096	0.1309	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1309	0.3341
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0216	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0271	0.3919	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0216	0.0422
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0216	0.1299
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Onchocerca volvulus		0.0099	0.1351	0.0161
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.1309	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0216	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0271	0.3919	0.3785
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0216	0.1299
Schistosoma mansoni	hypothetical protein	0.0096	0.1309	0.2952
Chlamydia trachomatis	SWIB complex protein	0.0271	0.3919	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.0271	0.3919	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0271	0.3919	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0271	0.3919	0.3785
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0096	0.1309	0.1117
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0216	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.1309	1
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0216	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma brucei	unspecified product	0.0023	0.0216	0.1299
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma brucei	unspecified product	0.0016	0.0108	0.0439
Echinococcus multilocularis	tumor protein p63	0.0678	1	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0271	0.3919	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0096	0.1309	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0108	0.0439
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0271	0.3919	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0096	0.1309	0.1117
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0108	0.0439
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0693	0.1288
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0216	0.0422
Schistosoma mansoni	RNA binding protein	0.0096	0.1309	0.2952
Schistosoma mansoni	hypothetical protein	0.0271	0.3919	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0096	0.1309	0.3249
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0271	0.3919	0.3785
Echinococcus granulosus	Zinc finger RanBP2 type	0.0096	0.1309	0.1117
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0216	0.1299
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0693	0.1288
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0693	0.0487
Trypanosoma brucei	hypothetical protein, conserved	0.0096	0.1309	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0216	0.1299
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0096	0.1309	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0096	0.1309	0.3249
Trypanosoma brucei	DNA polymerase kappa, putative	0.0016	0.0108	0.0439
Schistosoma mansoni	cellular tumor antigen P53	0.0099	0.1351	0.3065
Schistosoma mansoni	zinc finger protein	0.0096	0.1309	0.2952
Schistosoma mansoni	hypothetical protein	0.0271	0.3919	1
Brugia malayi	brahma associated protein 60 kDa	0.0271	0.3919	1
Echinococcus granulosus	SWI:SNF matrix associated	0.0271	0.3919	0.3785
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0693	0.0487
Leishmania major	hypothetical protein, conserved	0.0096	0.1309	1
Chlamydia trachomatis	DNA topoisomerase I	0.0271	0.3919	0.5
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0271	0.3919	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0096	0.1309	0.1117
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0693	0.1769
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0096	0.1309	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0096	0.1309	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0693	0.0487
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0693	0.1288
Leishmania major	hypothetical protein, conserved	0.0096	0.1309	1
Leishmania major	hypothetical protein, conserved	0.0096	0.1309	1
Leishmania major	DNA polymerase eta, putative	0.0023	0.0216	0.1299
Echinococcus granulosus	ring and YY1 binding protein	0.0096	0.1309	0.1117
Schistosoma mansoni	brg-1 associated factor	0.0271	0.3919	1
Trypanosoma brucei	unspecified product	0.0016	0.0108	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0216	0.0552
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0096	0.1309	1
Loa Loa (eye worm)	brahma associated protein	0.0271	0.3919	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0271	0.3919	0.3785
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0216	0.1299
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0096	0.1309	0.3249
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Trypanosoma cruzi	WLM domain containing protein, putative	0.0096	0.1309	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0096	0.1309	0.1117
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0216	0.5
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0096	0.1309	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Plasmodium vivax	hypothetical protein, conserved	0.0271	0.3919	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0096	0.1309	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1351	0.3448
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0053	0.0136
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0096	0.1309	1
Trichomonas vaginalis	conserved hypothetical protein	0.0271	0.3919	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0271	0.3919	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0216	0.1299
Brugia malayi	brahma associated protein 60 kDa	0.0271	0.3919	1
Schistosoma mansoni	hypothetical protein	0.0271	0.3919	1
Leishmania major	hypothetical protein, conserved	0.0096	0.1309	1
Onchocerca volvulus		0.0271	0.3919	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0216	0.1299
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0271	0.3919	0.3785
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0053	0.0136
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0216	0.1299

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1 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)	3.1623 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1890473

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 1537632