TDR Targets

Basic information

Technical information

TDR Targets ID: 1323364
Name: methyl 4-methoxy-3-[[6-[(4-methylphenyl)methy l]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]methyl]b enzoate
MW: 418.507 | Formula: C21H26N2O5S
H donors: 0 H acceptors: 3 LogP: 2.73 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1CN1CCCN(S1(=O)=O)Cc1ccc(cc1)C)C(=O)OC
InChi: 1S/C21H26N2O5S/c1-16-5-7-17(8-6-16)14-22-11-4-12-23(29(22,25)26)15-19-13-18(21(24)28-3)9-10-20(19)27-2/h5-10,13H,4,11-12,14-15H2,1-3H3
InChiKey: ASPCDFIUFLCLHV-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

4-methoxy-3-[[6-[(4-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]methyl]benzoic acid methyl ester
3-[[1,1-diketo-6-(4-methylbenzyl)-1,2,6-thiadiazinan-2-yl]methyl]-4-methoxy-benzoic acid methyl ester
E871-0486
NCGC00126030-01

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	neurogenic locus notch protein	0.0075	0.1415	0.2421
Echinococcus multilocularis	protein jagged 1	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	beta-lactamase family protein	0.0036	0.0006	0.0006
Echinococcus granulosus	expressed conserved protein	0.0094	0.2117	0.3621
Echinococcus multilocularis	transient receptor potential ion channel A	0.0096	0.2167	0.3707
Brugia malayi	GCC2 and GCC3 family protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0311	1	1
Echinococcus multilocularis	neural cadherin	0.0075	0.1415	0.2421
Echinococcus multilocularis	Niemann Pick C1 protein	0.0101	0.2339	0.4001
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Mycobacterium ulcerans	glutaminase	0.0276	0.8732	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Onchocerca volvulus	Putative cubilin	0.0075	0.1415	0.2421
Echinococcus granulosus	protein jagged 1	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	neurogenic locus protein delta	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0197	0.5846	0.6695
Schistosoma mansoni	hypothetical protein	0.0063	0.0957	0.1096
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0075	0.1415	0.2421
Mycobacterium ulcerans	hypothetical protein	0.0157	0.4379	0.5015
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0017	0.0028
Echinococcus granulosus	protein jagged 1	0.0075	0.1415	0.2421
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3739	0.4282
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0197	0.5846	0.6695
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0197	0.5846	0.6695
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0197	0.5846	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0054	0.0092
Onchocerca volvulus	Neurogenic locus notch homolog	0.0075	0.1415	0.2421
Echinococcus granulosus	neurogenic locus protein delta	0.0075	0.1415	0.2421
Schistosoma mansoni	hypothetical protein	0.0175	0.5032	0.5763
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.0251	0.0288
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	glutaminase	0.0276	0.8732	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0042	0.0195	0.0223
Echinococcus granulosus	neural cadherin	0.0075	0.1415	0.2421
Brugia malayi	Calcium binding EGF domain containing protein	0.0197	0.5846	0.6695
Giardia lamblia	High cysteine protein	0.0075	0.1415	1
Toxoplasma gondii	exonuclease III APE	0.0038	0.0054	0.0082
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.1066	0.1824
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3739	0.6396
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2402	0.2751
Brugia malayi	Calcium binding EGF domain containing protein	0.0075	0.1415	0.1621
Schistosoma mansoni	patched 1	0.0043	0.0251	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	Fibulin-1 precursor	0.0197	0.5846	0.6695
Onchocerca volvulus	Arrow homolog	0.0197	0.5846	1
Schistosoma mansoni	glutaminase	0.0276	0.8732	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0054	0.0068
Schistosoma mansoni	cell polarity protein	0.0075	0.1415	0.1621
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0622	0.0616
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0006	0.001
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0054	0.5
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0273	0.0268
Loa Loa (eye worm)	glutaminase 2	0.0276	0.8732	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0102	0.2402	0.2751
Echinococcus granulosus	Niemann Pick C1 protein	0.0144	0.3908	0.6685
Brugia malayi	Calcium binding EGF domain containing protein	0.0075	0.1415	0.1621
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.0251	0.043
Echinococcus multilocularis	transient receptor potential gamma protein	0.0099	0.2287	0.3912
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3739	0.4282
Brugia malayi	Muscle positioning protein 4	0.0075	0.1415	0.1621
Toxoplasma gondii	hypothetical protein	0.005	0.0507	0.0859
Onchocerca volvulus	Slit protein homolog	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0197	0.5846	0.6695
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Onchocerca volvulus		0.0036	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0604	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0197	0.5846	0.6695
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.4038	0.4035
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0054	0.0055
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0164	0.4644	0.6502
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.1066	0.1824
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0946	0.1084
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0102	0.2402	0.2751
Brugia malayi	Cadherin domain containing protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	protein jagged 2	0.0075	0.1415	0.2421
Schistosoma mansoni	ap endonuclease	0.0038	0.0054	0.0062
Brugia malayi	latrophilin 2 splice variant baaae	0.007	0.1225	0.1403
Brugia malayi	Niemann-Pick C1 protein precursor	0.0101	0.2339	0.2678
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0054	0.0062
Schistosoma mansoni	egf-like domain protein	0.0197	0.5846	0.6695
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0266	0.0305
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0054	0.0048
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0054	0.0055
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0054	0.5
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus granulosus	Niemann Pick C1 protein	0.0101	0.2339	0.4001
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0157	0.4379	1
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0197	0.5846	0.6695
Schistosoma mansoni	hypothetical protein	0.007	0.1225	0.1403
Echinococcus multilocularis	fibropellin Ia	0.0075	0.1415	0.2421
Schistosoma mansoni	ap endonuclease	0.0038	0.0054	0.0062
Echinococcus granulosus	transient receptor potential ion channel A	0.0096	0.2167	0.3707
Echinococcus multilocularis	notch	0.0075	0.1415	0.2421
Brugia malayi	notch-like transmembrane receptor	0.0075	0.1415	0.1621
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.7138	1
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0197	0.5846	0.6695
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.3739	0.6396
Brugia malayi	glutaminase DH11.1	0.0276	0.8732	1
Brugia malayi	Bromodomain containing protein	0.0039	0.0105	0.012
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	Delta serrate ligand family protein	0.0075	0.1415	0.1621
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	Notch2	0.0075	0.1415	0.1621
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0075	0.1415	0.1621
Echinococcus multilocularis	slit 2 protein	0.0075	0.1415	0.2421
Schistosoma mansoni	hypothetical protein	0.0042	0.0195	0.0223
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0063	0.0957	0.109
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	Tolloid protein 1	0.0197	0.5846	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0044	0.0273	0.0268
Brugia malayi	Calcium binding EGF domain containing protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	protein patched	0.0043	0.0251	0.043
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1032	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0054	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2339	0.2678
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.0251	0.043
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0075	0.1415	0.2421
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0197	0.5846	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0006	0.0006
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.0251	0.043
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0023	0.0039
Echinococcus granulosus	protein jagged 2	0.0075	0.1415	0.2421
Schistosoma mansoni	transient receptor potential channel 4	0.0099	0.2287	0.2619
Echinococcus granulosus	Tolloid protein 1	0.0197	0.5846	1
Loa Loa (eye worm)	hypothetical protein	0.0197	0.5846	0.6695
Loa Loa (eye worm)	hypothetical protein	0.0197	0.5846	0.6695
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0251	0.0288
Brugia malayi	CHE-14 protein	0.0043	0.0251	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	short transient receptor potential channel 6	0.0066	0.1066	0.1824
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0899	0.1539
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0075	0.1415	0.1621
Echinococcus granulosus	short transient receptor potential channel 6	0.0066	0.1066	0.1824
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0157	0.4379	0.5012
Mycobacterium tuberculosis	Probable aminotransferase	0.0157	0.4379	0.6131
Schistosoma mansoni	transient receptor potential channel	0.0099	0.2287	0.2619
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0054	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0054	0.0048
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.3739	0.4282
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0311	1	1
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Trichomonas vaginalis	glutaminase, putative	0.0276	0.8732	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0006	0.0006
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0054	0.0062
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Echinococcus granulosus	transient receptor potential gamma protein	0.0099	0.2287	0.3912
Mycobacterium ulcerans	hypothetical protein	0.0164	0.4644	0.5318
Mycobacterium ulcerans	lipase LipD	0.0036	0.0006	0.0006
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0006	0.0006
Loa Loa (eye worm)	notch protein	0.0075	0.1415	0.1621
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0147	0.4038	0.4035
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0006	0.0006
Echinococcus granulosus	slit 2 protein	0.0075	0.1415	0.2421
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0044	0.0273	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1309	0.1499
Schistosoma mansoni	hypothetical protein	0.0042	0.0195	0.0223
Schistosoma mansoni	septate junction protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	protein jagged 1	0.0075	0.1415	0.2421
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus granulosus	notch	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Onchocerca volvulus		0.0075	0.1415	0.2421
Echinococcus multilocularis	laminin	0.0197	0.5846	1
Echinococcus granulosus	dnaJ subfamily C 6	0.0063	0.0957	0.1637
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0023	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0054	1
Echinococcus granulosus	delta-like protein 1	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0017	0.0028
Echinococcus multilocularis	Niemann Pick C1 protein	0.0144	0.3908	0.6685
Schistosoma mansoni	hypothetical protein	0.0042	0.0195	0.0223
Schistosoma mansoni	transient receptor potential channel	0.0066	0.1066	0.1221
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0175	0.5032	0.5763
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2287	0.2619
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0006	0.0006
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Echinococcus granulosus	laminin	0.0197	0.5846	1
Onchocerca volvulus		0.0075	0.1415	0.2421
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0101	0.2339	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0899	0.1539
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0197	0.5846	0.6695
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0102	0.2402	0.2751
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0107	0.0123
Brugia malayi	Cadherin domain containing protein	0.0075	0.1415	0.1621
Brugia malayi	beta-lactamase	0.0036	0.0006	0.0006
Onchocerca volvulus		0.0075	0.1415	0.2421
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3739	0.6396
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0251	0.0281
Schistosoma mansoni	slit	0.0075	0.1415	0.1621
Echinococcus granulosus	protein jagged 2	0.0075	0.1415	0.2421
Schistosoma mansoni	laminin gamma-3 chain	0.0075	0.1415	0.1621
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0147	0.4038	0.4035
Echinococcus granulosus	neurogenic locus notch protein	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.007	0.1225	0.1403
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Echinococcus multilocularis	expressed conserved protein	0.0094	0.2117	0.3621
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0006	0.0006
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0023	0.0039
Echinococcus multilocularis	dnaJ subfamily C 6	0.0063	0.0957	0.1637
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0157	0.4379	0.5015
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0063	0.0957	0.1096
Onchocerca volvulus		0.0075	0.1415	0.2421
Schistosoma mansoni	transient receptor potential channel	0.0066	0.1066	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0195	0.0223
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0006	0.0006
Onchocerca volvulus		0.0036	0.0006	0.001
Echinococcus multilocularis	neurogenic locus notch protein	0.0075	0.1415	0.2421
Schistosoma mansoni	hypothetical protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Onchocerca volvulus		0.0036	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0023	0.0026
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0054	0.0048
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0102	0.2395	0.2743
Echinococcus granulosus	neurogenic locus notch protein	0.0075	0.1415	0.2421
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Echinococcus granulosus	geminin	0.0175	0.5032	0.8608
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.3739	0.4282
Echinococcus multilocularis	protein dispatched 1	0.0049	0.0473	0.0809
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621
Brugia malayi	DnaJ domain containing protein	0.0063	0.0957	0.1096
Echinococcus multilocularis	fibrillin 1	0.0197	0.5846	1
Echinococcus multilocularis	geminin	0.0175	0.5032	0.8608
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0006	0.001
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0006	0.0006
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0157	0.4379	0.6131
Brugia malayi	Bromodomain containing protein	0.0077	0.1468	0.1681
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0054	0.0062
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0054	0.0048
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.3739	0.6396
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.3739	0.4282
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0006	0.0006
Echinococcus multilocularis	neurogenic locus protein delta	0.0075	0.1415	0.2421
Echinococcus granulosus	fibropellin Ia	0.0075	0.1415	0.2421
Echinococcus granulosus	neurogenic locus notch protein 4	0.0075	0.1415	0.2421
Toxoplasma gondii	EGF family domain-containing protein	0.0075	0.1415	0.2414
Schistosoma mansoni	notch	0.0075	0.1415	0.1621
Onchocerca volvulus		0.0075	0.1415	0.2421
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0044	0.0273	0.0268
Brugia malayi	EGF-like domain containing protein	0.0075	0.1415	0.1621
Loa Loa (eye worm)	hypothetical protein	0.0075	0.1415	0.1621

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2239 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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.

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External resources for this compound

ChEMBL: CHEMBL1456161

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1323364