TDR Targets

Basic information

Technical information

TDR Targets ID: 1714248
Name: Z27646686
MW: 387.43 | Formula: C20H25N3O5
H donors: 2 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1CC(C)(C)CC2(C1)NC(=O)N(C2=O)CC(=O)Nc1ccc2c(c1)OCO2
InChi: 1S/C20H25N3O5/c1-12-7-19(2,3)10-20(8-12)17(25)23(18(26)22-20)9-16(24)21-13-4-5-14-15(6-13)28-11-27-14/h4-6,12H,7-11H2,1-3H3,(H,21,24)(H,22,26)
InChiKey: GDHOPAZMQCFTMU-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	ubiquitin specific peptidase 1	Starlite/ChEMBL	No references
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
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
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	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 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

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
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0065	0.0549	0.1172
Entamoeba histolytica	hypothetical protein	0.0029	0.0054	0.5
Loa Loa (eye worm)	beta-lactamase	0.0029	0.0053	0.0042
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0065	0.0549	0.0539
Mycobacterium ulcerans	glutaminase	0.0224	0.2786	1
Brugia malayi	Pre-SET motif family protein	0.0186	0.2256	0.2247
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0065	0.0549	0.1172
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0029	0.0054	0.0116
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0026	0.0011	0.0023
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0549	0.1172
Schistosoma mansoni	hypothetical protein	0.0041	0.0218	0.0735
Onchocerca volvulus		0.0065	0.0549	0.2055
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0065	0.0549	0.0539
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0029	0.0053	0.0042
Onchocerca volvulus		0.0065	0.0549	0.2055
Trypanosoma brucei	hypothetical protein, conserved	0.0029	0.0053	0.0783
Leishmania major	carnitine/choline acetyltransferase, putative	0.0065	0.0549	0.1172
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0218	0.0207
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0053	0.0141
Schistosoma mansoni	hypothetical protein	0.0141	0.1626	0.5818
Schistosoma mansoni	transcription factor LCR-F1	0.0029	0.0054	0.0143
Echinococcus multilocularis	geminin	0.0141	0.1626	0.3518
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0053	1
Schistosoma mansoni	choline o-acyltransferase	0.0065	0.0549	0.1931
Loa Loa (eye worm)	glutaminase 2	0.0224	0.2786	0.2778
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0065	0.0549	0.1172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0416	0.0903
Brugia malayi	beta-lactamase	0.0029	0.0053	0.0042
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0353	0.4603	1
Trypanosoma brucei	hypothetical protein, conserved	0.0065	0.0549	1
Brugia malayi	Choline O-acetyltransferase	0.0065	0.0549	0.0539
Onchocerca volvulus		0.0029	0.0053	0.015
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0065	0.0549	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0029	0.0053	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0353	0.4603	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0029	0.0054	0.0093
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0065	0.0549	0.1193
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0065	0.0549	0.1172
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0065	0.0549	0.0539
Toxoplasma gondii	ABC1 family protein	0.0029	0.0053	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0416	0.145
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0486	0.0475
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0026	0.0011	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0218	0.0207
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0416	0.0882
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0353	0.4603	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0549	0.1172
Loa Loa (eye worm)	glutaminase	0.0224	0.2786	0.2778
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0353	0.4603	1
Loa Loa (eye worm)	choline O-acetyltransferase	0.0065	0.0549	0.0539
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0186	0.2256	0.2247
Onchocerca volvulus		0.0029	0.0053	0.015
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0027	0.0014	0.0007
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0549	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0188	0.2287	1
Schistosoma mansoni	glutaminase	0.0224	0.2786	1
Brugia malayi	hypothetical protein	0.0029	0.0054	0.0043
Entamoeba histolytica	hypothetical protein	0.0029	0.0054	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0212	0.2617	0.9384
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0065	0.0549	0.0539
Mycobacterium leprae	Probable lipase LipE	0.0029	0.0053	0.5
Schistosoma mansoni	choline o-acyltransferase	0.0065	0.0549	0.1931
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0416	0.0405
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0027	0.0014	0.0007
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0549	0.1172
Loa Loa (eye worm)	hypothetical protein	0.006	0.0486	0.0475
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0029	0.0053	0.0092
Trichomonas vaginalis	glutaminase, putative	0.0224	0.2786	1
Entamoeba histolytica	hypothetical protein	0.0029	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0042
Brugia malayi	beta-lactamase family protein	0.0029	0.0053	0.0042
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0053	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0549	0.0539
Plasmodium vivax	SET domain protein, putative	0.0027	0.0014	0.0719
Echinococcus granulosus	histone lysine methyltransferase setb	0.0027	0.0014	0.003
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0014	0.0003
Mycobacterium leprae	conserved hypothetical protein	0.0029	0.0053	0.5
Onchocerca volvulus		0.0065	0.0549	0.2055
Echinococcus granulosus	beta LACTamase domain containing family member	0.0029	0.0053	0.0115
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0065	0.0549	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0054	0.0143
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0065	0.0549	1
Echinococcus granulosus	geminin	0.0141	0.1626	0.3533
Onchocerca volvulus		0.0065	0.0549	0.2055
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0065	0.0549	0.1172
Brugia malayi	glutaminase DH11.1	0.0224	0.2786	0.2778
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0416	0.0882
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0029	0.0053	0.0141
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0416	0.0405
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0027	0.0014	0.0719
Schistosoma mansoni	hypothetical protein	0.0141	0.1626	0.5818
Echinococcus granulosus	choline O acetyltransferase	0.0065	0.0549	0.1193
Leishmania major	hypothetical protein, conserved	0.0029	0.0053	0.0092
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0065	0.0549	1
Brugia malayi	Choline O-acetyltransferase	0.0065	0.0549	0.0539
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0065	0.0549	0.1172
Brugia malayi	beta-lactamase family protein	0.0029	0.0053	0.0042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0416	0.145
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0065	0.0549	0.1172
Trypanosoma cruzi	hypothetical protein, conserved	0.0065	0.0549	0.1172
Loa Loa (eye worm)	hypothetical protein	0.0736	1	1
Onchocerca volvulus		0.0029	0.0053	0.015
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0486	0.0475
Trypanosoma cruzi	hypothetical protein, conserved	0.0029	0.0053	0.0092
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0353	0.4603	1
Brugia malayi	Pre-SET motif family protein	0.0027	0.0014	0.0003
Echinococcus multilocularis	choline O acetyltransferase	0.0065	0.0549	0.1172
Entamoeba histolytica	hypothetical protein	0.0029	0.0054	0.5
Leishmania major	carnitine palmitoyltransferase-like protein	0.0065	0.0549	0.1172
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0416	0.0903
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0486	0.0475
Onchocerca volvulus		0.0212	0.2617	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0416	0.145

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 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: CHEMBL2135275

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 1714248