TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.468 | Formula: C25H22N4O
H donors: 0 H acceptors: 1 LogP: 4.9 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(/N=C/N(C)C)n(c(c1c1ccccc1)c1ccccc1)Cc1ccco1
InChi: 1S/C25H22N4O/c1-28(2)18-27-25-22(16-26)23(19-10-5-3-6-11-19)24(20-12-7-4-8-13-20)29(25)17-21-14-9-15-30-21/h3-15,18H,17H2,1-2H3/b27-18+
InChiKey: VCWADNDZBILDKZ-OVVQPSECSA-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	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor)	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	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
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	hypoxia-induced factor 1	Get druggable targets OG5_131074	All targets in OG5_131074
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131074	All targets in OG5_131074
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
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
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
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
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 multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
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
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	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
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	hypothetical protein	Get druggable targets OG5_131074	All targets in OG5_131074
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
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
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
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
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	hypoxia-induced factor 1	Get druggable targets OG5_131074	All targets in OG5_131074

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 %
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	neuropeptide receptor A26	0.0558	0.2178	0.2381
Echinococcus multilocularis	neural Wiskott Aldrich syndrome protein	0.0216	0.0822	0.0899
Echinococcus granulosus	aryl hydrocarbon receptor	0.0015	0.0026	0.0029
Trichomonas vaginalis	STE family protein kinase	0.022	0.0839	0.6919
Echinococcus multilocularis	p21 activated protein kinase 1 Dpak1	0.022	0.0839	0.0918
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Schistosoma mansoni	hypothetical protein	0.0019	0.0041	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0129	0.0121
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.2178	0.2381
Brugia malayi	P21-Rho-binding domain containing protein	0.0216	0.0822	0.0815
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.2178	0.2381
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0026	0.0018
Schistosoma mansoni	hypothetical protein	0.0041	0.0129	0.0395
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3266	0.3572
Schistosoma mansoni	hypothetical protein	0.0216	0.0822	0.2517
Loa Loa (eye worm)	P21-Rho-binding domain-containing protein	0.0216	0.0822	0.0815
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0182	0.0686	0.0678
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0204	0.0196
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.082	0.6756
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0015	0.0026	0.0029
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.1201	0.1194
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Onchocerca volvulus		0.0035	0.0103	0.1025
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.002	0.0043	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0689	0.0681
Schistosoma mansoni	cpg binding protein	0.0037	0.0111	0.034
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0226	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3266	1
Schistosoma mansoni	serine/threonine protein kinase	0.0216	0.0822	0.2517
Echinococcus multilocularis	transfer RNA-Lys	0.0043	0.0138	0.0151
Schistosoma mansoni	protein kinase	0.022	0.0839	0.2569
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.022	0.0839	0.0918
Brugia malayi	PAS domain containing protein	0.0059	0.0199	0.0191
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.1201	0.1194
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0185	0.0202
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0041	0.0034
Schistosoma mansoni	wiskott-aldrich syndrome protein	0.0216	0.0822	0.2517
Mycobacterium leprae	Possible regulatory protein	0.0015	0.0026	0.5
Brugia malayi	hypoxia-induced factor 1	0.0182	0.0686	0.0679
Loa Loa (eye worm)	hypothetical protein	0.006	0.0204	0.0196
Leishmania major	protein kinase, putative	0.002	0.0043	1
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0015	0.0026	0.0018
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0103	0.0095
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0008	0.0009
Schistosoma mansoni	cpg binding protein	0.0035	0.0103	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0197	0.0746	0.0739
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.0776	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0041	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Echinococcus granulosus	p21 activated protein kinase 1 Dpak1	0.022	0.0839	0.0918
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.002	0.0043	1
Schistosoma mansoni	protein kinase	0.0216	0.0822	0.2517
Echinococcus granulosus	PAK box P21 Rho binding	0.0216	0.0822	0.0899
Schistosoma mansoni	protein kinase	0.022	0.0839	0.2569
Leishmania major	protein kinase, putative	0.002	0.0043	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0041	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0185	0.0565
Schistosoma mansoni	cpg binding protein	0.0037	0.0111	0.034
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Schistosoma mansoni	tyrosine kinase	0.0216	0.0822	0.2517
Brugia malayi	bHLH-PAS transcription factor	0.0043	0.0138	0.013
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0822	0.0815
Schistosoma mansoni	aryl hydrocarbon receptor	0.0059	0.0199	0.0608
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0185	0.0565
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.2178	0.2381
Entamoeba histolytica	protein kinase, putative	0.022	0.0839	1
Giardia lamblia	Kinase, STE STE20	0.022	0.0839	0.5
Echinococcus granulosus	serine:threonine protein kinase PAK 4	0.2317	0.9144	1
Trichomonas vaginalis	STE family protein kinase	0.022	0.0839	0.6919
Schistosoma mansoni	single-minded	0.0059	0.0199	0.0608
Loa Loa (eye worm)	STE/STE20/PAKB protein kinase	0.2534	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0257	0.0788
Echinococcus granulosus	GPCR family 2	0.0019	0.0041	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0111	0.0121
Schistosoma mansoni	protein kinase	0.022	0.0839	0.2569
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0041	0.0045
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0015	0.0026	0.0029
Entamoeba histolytica	protein kinase, putative	0.022	0.0839	1
Echinococcus multilocularis	PAK box P21 Rho binding	0.022	0.0839	0.0918
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.082	0.6756
Echinococcus granulosus	single minded 2	0.0043	0.0138	0.0151
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3266	0.3572
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0008	0.0009
Echinococcus multilocularis	serine:threonine protein kinase PAK 4	0.2317	0.9144	1
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0015	0.0026	0.0029
Schistosoma mansoni	hypothetical protein	0.0019	0.0041	0.0126
Brugia malayi	Protein kinase domain	0.022	0.0839	0.0832
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0185	0.0202
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0041	0.0045
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Trichomonas vaginalis	conserved hypothetical protein	0.0216	0.0822	0.6776
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0185	0.0202
Entamoeba histolytica	protein kinase, putative	0.022	0.0839	1
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.022	0.0839	0.0918
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0185	0.0565
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.002	0.0043	1
Brugia malayi	P21-Rho-binding domain containing protein	0.0216	0.0822	0.0815
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0204	0.0197
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0041	0.0033
Schistosoma mansoni	hypothetical protein	0.0019	0.0041	0.0126
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0204	0.0197
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0129	0.0121
Echinococcus multilocularis	serine:threonine protein kinase PAK 3	0.022	0.0839	0.0918
Echinococcus granulosus	serine:threonine protein kinase PAK 3	0.022	0.0839	0.0918
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0041	0.0045
Entamoeba histolytica	protein kinase, putative	0.022	0.0839	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0185	0.0176
Entamoeba histolytica	p21-activated kinase	0.022	0.0839	1
Brugia malayi	WH1 domain containing protein	0.0216	0.0822	0.0815
Trichomonas vaginalis	STE family protein kinase	0.022	0.0839	0.6919
Mycobacterium ulcerans	putative regulatory protein	0.0043	0.0138	0.5
Onchocerca volvulus		0.0182	0.0689	0.883
Onchocerca volvulus		0.0043	0.0138	0.149
Echinococcus granulosus	neural Wiskott Aldrich syndrome protein	0.0216	0.0822	0.0899
Brugia malayi	hypothetical protein	0.0182	0.0689	0.0681
Echinococcus multilocularis	cpg binding protein	0.0037	0.0111	0.0121
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0041	0.0034
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0185	0.0177
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Schistosoma mansoni	hypothetical protein	0.0216	0.0822	0.2517
Schistosoma mansoni	hypothetical protein	0.0019	0.0041	0.0126
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0015	0.0026	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0041	0.0033
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.002	0.0043	1
Echinococcus granulosus	3'partial\|serine:threonine protein kinase PAK 2	0.0216	0.0822	0.0899
Echinococcus multilocularis	PAK box P21 Rho binding	0.0216	0.0822	0.0899
Brugia malayi	hypothetical protein	0.0197	0.0746	0.0739
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0103	0.0095
Trichomonas vaginalis	STE family protein kinase	0.022	0.0839	0.6919
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.0776	0.6384
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0185	0.0202
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1201	1
Trichomonas vaginalis	STE family protein kinase	0.022	0.0839	0.6919
Schistosoma mansoni	hypothetical protein	0.0216	0.0822	0.2517

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 21.6 uM	PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	= 26.9 uM	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	> 100 uM	PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a MMP-2 Fluorescence assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	0.7943 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)	= 1 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Agonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 915 ]	ChEMBL.	No reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Small Molecule Antagonists for Hypoxia Response Element Signaling Pathway. (Class of assay: confirmatory) [Related pubchem assays: 914 ]	ChEMBL.	No reference
Potency (functional)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	4.4668 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 (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	29.0929 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	67.4555 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 Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388]	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: CHEMBL1973435

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1610236