TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 360.514 | Formula: C20H28N2O2S
H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CSC2(N1C(=O)CC2)C)N(Cc1ccc(cc1)C(C)(C)C)C
InChi: 1S/C20H28N2O2S/c1-19(2,3)15-8-6-14(7-9-15)12-21(5)18(24)16-13-25-20(4)11-10-17(23)22(16)20/h6-9,16H,10-13H2,1-5H3
InChiKey: GJEBFROSYGEBKX-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	synuclein, alpha (non A4 component of amyloid precursor)	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0099	0.0099
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0024	0.0024
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0595	0.0595
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0792	0.0792
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0099	0.0099
Loa Loa (eye worm)	hypothetical protein	0.004	0.0555	0.0555
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Brugia malayi	ImpB/MucB/SamB family protein	0.0046	0.0733	0.0733
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0318	0.0318
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0703	0.0703
Mycobacterium leprae	Probable phosphoglycerate kinase Pgk	0.0176	0.422	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0099	0.0099
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.1566	0.3392
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0061	0.0061
Echinococcus granulosus	histone lysine methyltransferase setb	0.0048	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.0073	0.1454	0.1454
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0024	0.0024
Brugia malayi	Bromodomain containing protein	0.004	0.0553	0.0553
Echinococcus granulosus	dna polymerase eta	0.0046	0.0733	0.0733
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0703	0.0703
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.1148	0.1148
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.1566	0.1482
Trypanosoma brucei	DNA polymerase eta, putative	0.0046	0.0733	0.071
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0048	0.0792	0.0792
Loa Loa (eye worm)	hypothetical protein	0.0042	0.062	0.062
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.1566	0.1566
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.1107	0.1107
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1566	0.1566
Loa Loa (eye worm)	glutaminase	0.0283	0.7089	0.7089
Brugia malayi	Pre-SET motif family protein	0.0215	0.5275	0.5275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0703	0.0703
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1566	0.2182
Trichomonas vaginalis	set domain proteins, putative	0.0245	0.6074	0.6065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0703	0.0703
Plasmodium falciparum	phosphoglycerate kinase	0.0176	0.422	0.4163
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0024	0.0024
Schistosoma mansoni	ap endonuclease	0.0023	0.0099	0.0099
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0024	0.0024
Leishmania major	phosphoglycerate kinase C, glycosomal	0.0176	0.422	0.4206
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0176	0.422	0.4206
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0204	0.0255
Brugia malayi	Probable ClpP-like protease	0.0077	0.1566	0.1566
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1566	0.356
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0099	0.0074
Toxoplasma gondii	phosphoglycerate kinase PGKII	0.0176	0.422	1
Brugia malayi	PHD-finger family protein	0.0026	0.018	0.018
Leishmania major	DNA polymerase eta, putative	0.0046	0.0733	0.071
Schistosoma mansoni	phosphoglycerate kinase	0.0176	0.422	0.422
Trypanosoma cruzi	DNA polymerase eta, putative	0.0033	0.0363	0.0339
Onchocerca volvulus		0.0245	0.6074	1
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.085	0.085
Trypanosoma brucei	phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Brugia malayi	Bromodomain containing protein	0.0078	0.1573	0.1573
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.085	0.1609
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0257	0.6395	0.6386
Giardia lamblia	Phosphoglycerate kinase	0.0176	0.422	0.4206
Schistosoma mansoni	bromodomain containing protein	0.0065	0.1247	0.1247
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0024	0.0024
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1566	0.2182
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0703	0.0703
Brugia malayi	glutaminase DH11.1	0.0283	0.7089	0.7089
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Schistosoma mansoni	hypothetical protein	0.0041	0.0595	0.0595
Toxoplasma gondii	phosphoglycerate kinase PGKI	0.0176	0.422	1
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0099	0.0074
Echinococcus granulosus	dna polymerase kappa	0.002	0.0024	0.0024
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.1107	0.1107
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1566	0.356
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0024	0.0024
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0792	0.0792
Treponema pallidum	phosphoglycerate kinase	0.0176	0.422	1
Echinococcus granulosus	phosphoglycerate kinase 1	0.0176	0.422	0.422
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0033	0.0363	0.0641
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0204	0.0106
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.1566	0.1566
Trypanosoma brucei	phosphoglycerate kinase	0.0176	0.422	0.4206
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0115	0.0115
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0115	0.0115
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0318	0.0318
Leishmania major	DNA polymerase eta, putative	0.0033	0.0363	0.0339
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.1566	0.1566
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0204	0.0106
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0099	0.0177
Schistosoma mansoni	phosphoglycerate kinase	0.0176	0.422	0.422
Mycobacterium tuberculosis	Probable phosphoglycerate kinase Pgk	0.0176	0.422	1
Loa Loa (eye worm)	glutaminase 2	0.0283	0.7089	0.7089
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0115	0.0115
Toxoplasma gondii	hypothetical protein	0.0027	0.0204	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0595	0.0595
Loa Loa (eye worm)	hypothetical protein	0.0176	0.422	0.422
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0703	0.0703
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.085	0.085
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0176	0.422	0.4206
Plasmodium vivax	SET domain protein, putative	0.0031	0.0318	0.0221
Echinococcus multilocularis	zinc finger protein	0.002	0.0032	0.0032
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0287	0.0287
Brugia malayi	Pre-SET motif family protein	0.0031	0.0318	0.0318
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.1148	0.1148
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.085	0.1968
Trypanosoma brucei	phosphoglycerate kinase	0.0065	0.1225	0.1203
Schistosoma mansoni	ap endonuclease	0.0023	0.0099	0.0099
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0099	0.0074
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0099	0.0074
Trypanosoma cruzi	DNA polymerase eta, putative	0.0046	0.0733	0.071
Mycobacterium ulcerans	phosphoglycerate kinase	0.0176	0.422	0.5939
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1566	0.1482
Brugia malayi	Phosphoglycerate kinase	0.0176	0.422	0.422
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0099	0.0099
Mycobacterium ulcerans	glutaminase	0.0283	0.7089	1
Wolbachia endosymbiont of Brugia malayi	phosphoglycerate kinase	0.0176	0.422	1
Trypanosoma brucei	phosphoglycerate kinase	0.0176	0.422	0.4206
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0318	0.0532
Trichomonas vaginalis	phosphoglycerate kinase, putative	0.0176	0.422	0.4206
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0023	0.0099	0.0105
Echinococcus granulosus	zinc finger protein	0.002	0.0032	0.0032
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0099	0.0074
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0023	0.0099	0.0074
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0099	0.0074
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Echinococcus multilocularis	dna polymerase eta	0.0046	0.0733	0.0733
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0065	0.1225	0.1203
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0733	0.0733
Plasmodium vivax	phosphoglycerate kinase, putative	0.0176	0.422	0.4163
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1566	0.356
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.1107	0.1107
Trichomonas vaginalis	glutaminase, putative	0.0283	0.7089	0.7082
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0099	0.0074
Loa Loa (eye worm)	hypothetical protein	0.006	0.1107	0.1107
Brugia malayi	Phosphoglycerate kinase	0.0065	0.1225	0.1225
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0487	0.0487
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0703	0.0703
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0048	0.0792	0.0792
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0487	0.0487
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0215	0.5275	0.5275
Chlamydia trachomatis	phosphoglycerate kinase	0.0176	0.422	1
Echinococcus multilocularis	phosphoglycerate kinase 1	0.0176	0.422	0.422
Entamoeba histolytica	phosphoglycerate kinase, putative	0.0176	0.422	0.4206
Schistosoma mansoni	hypothetical protein	0.0021	0.0061	0.0061
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.085	0.1968
Schistosoma mansoni	DNA polymerase eta	0.0046	0.0733	0.0733
Schistosoma mansoni	glutaminase	0.0283	0.7089	0.7089
Trypanosoma cruzi	3-phosphoglycerate kinase, glycosomal	0.0065	0.1225	0.1203
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1566	0.356
Schistosoma mansoni	zinc finger protein	0.002	0.0032	0.0032
Trypanosoma cruzi	phosphoglycerate kinase, putative	0.0176	0.422	0.4206
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0318	0.0318
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0703	0.0703
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0674	0.0674
Leishmania major	phosphoglycerate kinase B, cytosolic	0.0176	0.422	0.4206
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0024	0.0024

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1192 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.5481 uM	PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	22.3872 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	100 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
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991]	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: CHEMBL1515940

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1397081