TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 370.404 | Formula: C22H18N4O2
H donors: 3 H acceptors: 4 LogP: 3.55 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1ccc(cc1)Nc1nnc(c2c1cccc2)c1ccc(cc1)O
InChi: 1S/C22H18N4O2/c1-23-22(28)15-6-10-16(11-7-15)24-21-19-5-3-2-4-18(19)20(25-26-21)14-8-12-17(27)13-9-14/h2-13,27H,1H3,(H,23,28)(H,24,26)
InChiKey: BQFPVWUSCCHHBF-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	glutaminase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glutaminase, putative	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Mycobacterium ulcerans	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	glutaminase DH11.1	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma mansoni	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	glutaminase 2	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	glutaminase	Get druggable targets OG5_129245	All targets in OG5_129245
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

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
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0036	0.0063
Echinococcus granulosus	GPCR family 2	0.0019	0.0121	0.0234
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0014	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0218	0.2168	0.5641
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0207	0.0177
Onchocerca volvulus		0.0035	0.0282	0.1285
Schistosoma mansoni	hypothetical protein	0.0041	0.0349	0.0696
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0601	0.1487
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0121	0.0306
Echinococcus multilocularis	DNA topoisomerase 1	0.0381	0.384	0.3838
Loa Loa (eye worm)	glutaminase 2	0.033	0.3321	0.8647
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0121	0.0234
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0545	0.1409
Schistosoma mansoni	z-protein (S1r protein)	0.0011	0.0036	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0159	0.0467
Echinococcus granulosus	segment polarity protein dishevelled	0.0011	0.0036	0.0063
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0121	0.0306
Brugia malayi	hypothetical protein	0.0027	0.0207	0.0529
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0207	0.013
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0036	0.0063
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0036	0.0063
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0036	0.0032
Schistosoma mansoni	cpg binding protein	0.0035	0.0282	0.0563
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0207	0.013
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0121	0.0117
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0011	0.0036	0.0063
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0159	0.0404
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.006	0.0545	0.1409
Brugia malayi	hypothetical protein	0.0018	0.0107	0.0269
Loa Loa (eye worm)	glutaminase	0.033	0.3321	0.8647
Schistosoma mansoni	dep domain containing protein	0.0011	0.0036	0.0071
Schistosoma mansoni	DNA topoisomerase type I	0.0285	0.2857	0.5705
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0019	0.0121	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0349	0.0898
Brugia malayi	hypothetical protein	0.0011	0.0036	0.0083
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0282	0.0725
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Schistosoma mansoni	ap endonuclease	0.0023	0.0159	0.0317
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0159	0.031
Trichomonas vaginalis	glutaminase, putative	0.033	0.3321	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0006	0.0006
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0207	0.013
Entamoeba histolytica	hypothetical protein	0.004	0.0336	1
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.2168	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0121	0.0117
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0023	0.0159	0.5
Loa Loa (eye worm)	DIX domain-containing protein	0.0011	0.0036	0.0083
Toxoplasma gondii	exonuclease III APE	0.0023	0.0159	0.0324
Brugia malayi	glutaminase DH11.1	0.033	0.3321	0.8647
Schistosoma mansoni	DNA topoisomerase type I	0.0285	0.2857	0.5705
Leishmania major	hypothetical protein, conserved	0.0027	0.0207	0.0177
Schistosoma mansoni	hypothetical protein	0.004	0.0336	0.067
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0011	0.0036	0.0071
Schistosoma mansoni	hypothetical protein	0.0019	0.0121	0.0242
Brugia malayi	DIX domain containing protein	0.0011	0.0036	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0036	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0121	0.0306
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.203	0.9364
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0036	0.0083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0014	0.002
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0207	0.0529
Leishmania major	DNA topoisomerase IB, large subunit	0.0285	0.2857	1
Schistosoma mansoni	dishevelled	0.0011	0.0036	0.0071
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0159	0.0155
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0349	0.0898
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0051	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0036	0.0083
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0014	0.002
Plasmodium falciparum	topoisomerase I	0.0381	0.384	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0011	0.0036	0.0063
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0121	0.0234
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0011	0.0036	0.0032
Schistosoma mansoni	glutaminase	0.033	0.3321	0.6634
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0023	0.0159	0.0543
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0023	0.0159	0.467
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0121	0.0117
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0036	0.0032
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0036	0.0083
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0545	0.1409
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0159	0.5
Schistosoma mansoni	DNA topoisomerase type I	0.0381	0.384	0.767
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0285	0.2857	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0011	0.0036	0.0083
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0023	0.0159	0.0543
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0008	0.0004	0.0008
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0545	0.1409
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0207	0.0711
Schistosoma mansoni	regulator of G protein signaling	0.0011	0.0036	0.0071
Brugia malayi	N-terminal motif family protein	0.0218	0.2168	0.5641
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0023	0.0159	0.5
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0008
Entamoeba histolytica	hypothetical protein	0.004	0.0336	1
Leishmania major	DNA topoisomerase type IB small subunit	0.0096	0.0909	0.2781
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.5007	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2144	0.645
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.3134	0.8158
Trichomonas vaginalis	ap endonuclease, putative	0.0023	0.0159	0.0467
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0023	0.0159	0.5
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.0096	0.0909	0.2781
Brugia malayi	DNA topoisomerase I	0.0381	0.384	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0121	0.0306
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0336	0.0332
Schistosoma mansoni	hypothetical protein	0.0019	0.0121	0.0242
Plasmodium vivax	topoisomerase I, putative	0.0381	0.384	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0034	0.0079
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0011	0.0036	0.0146
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0006	0.0006
Mycobacterium ulcerans	glutaminase	0.033	0.3321	1
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0336	0.067
Loa Loa (eye worm)	DNA topoisomerase I	0.0381	0.384	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0006	0.0006
Toxoplasma gondii	DNA topoisomerase I, putative	0.0381	0.384	1
Schistosoma mansoni	hypothetical protein	0.0494	0.5007	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0014	0.001
Onchocerca volvulus		0.0011	0.0036	0.0146
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0011	0.0036	0.0083
Schistosoma mansoni	hypothetical protein	0.0019	0.0121	0.0242
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.2144	0.645
Echinococcus multilocularis	segment polarity protein dishevelled	0.0011	0.0036	0.0032
Schistosoma mansoni	ras GTP exchange factor	0.0008	0.0004	0.0008
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0282	0.0725
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0207	0.0711
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0036	0.0032
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0207	0.045
Schistosoma mansoni	ap endonuclease	0.0023	0.0159	0.0317
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0051	0.0048
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0159	0.0404
Schistosoma mansoni	hypothetical protein	0.0012	0.0051	0.0103
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0285	0.2857	1
Trichomonas vaginalis	helicase, putative	0.0008	0.0006	0.0006
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0008
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.5007	0.5005
Entamoeba histolytica	hypothetical protein	0.004	0.0336	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Schistosoma mansoni	dishevelled	0.0011	0.0036	0.0071
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.203	0.6108
Schistosoma mansoni	cpg binding protein	0.0037	0.0302	0.0604
Schistosoma mansoni	cpg binding protein	0.0037	0.0302	0.0604
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0006	0.0006
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.0096	0.0909	0.3173
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0014	0.001
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.3134	0.9434
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.3134	0.8158
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0682	0.1362
Echinococcus multilocularis	cpg binding protein	0.0037	0.0302	0.0299
Echinococcus granulosus	cpg binding protein	0.0037	0.0302	0.0597
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0036	0.0083
Entamoeba histolytica	hypothetical protein	0.004	0.0336	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0336	0.0663
Brugia malayi	hypothetical protein	0.004	0.0336	0.0865
Echinococcus granulosus	DNA topoisomerase 1	0.0381	0.384	0.7668
Brugia malayi	hypothetical protein	0.0011	0.0036	0.0083
Echinococcus multilocularis	regulator of G protein signaling 7	0.0011	0.0036	0.0032
Brugia malayi	regulator of G-protein signaling egl-10	0.0011	0.0036	0.0083
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0008	0.0004	0.0008

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 66 uM	Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay	ChEMBL.	24211642
IC50 (binding)	= 96 uM	Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay	ChEMBL.	24211642
Inhibition (binding)	< 30 %	Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate at 50 uM after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis	ChEMBL.	24211642
Inhibition (binding)	< 30 %	Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate at 50 uM after 15 mins by fluorescence assay	ChEMBL.	24211642
Inhibition (binding)	< 30 %	Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate at 50 uM after 15 mins by fluorescence assay	ChEMBL.	24211642
Ki (binding)	= 50 uM	Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis	ChEMBL.	24211642
Ki (binding)	= 166 uM	Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis	ChEMBL.	24211642
Potency (functional)	8.2753 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)	11.5774 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)	12.5893 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (binding)	22.3872 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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)	112.2018 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	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: CHEMBL1462676

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1311850