TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 525.039 | Formula: C28H33ClN4O4
H donors: 2 H acceptors: 3 LogP: 2.41 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CCN(C(=O)[C@H]1C[C@H](CC(=O)NCc2ccco2)C(=O)N2[C@]1(C)c1[nH]c3c(c1CC2)cc(cc3)Cl)CC
InChi: 1S/C28H33ClN4O4/c1-4-32(5-2)27(36)22-13-17(14-24(34)30-16-19-7-6-12-37-19)26(35)33-11-10-20-21-15-18(29)8-9-23(21)31-25(20)28(22,33)3/h6-9,12,15,17,22,31H,4-5,10-11,13-14,16H2,1-3H3,(H,30,34)/t17-,22-,28+/m1/s1
InChiKey: BXPMQKKJRLJWNK-AMAWMVDHSA-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	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	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

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 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cAMP dependent protein kinase type II regulatory	0.005	0.0118	0.0118
Echinococcus multilocularis	geminin	0.0205	0.0846	0.0846
Echinococcus granulosus	cAMP dependent protein kinase type II regulatory	0.005	0.0118	0.0118
Onchocerca volvulus		0.2151	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0166	0.0166
Echinococcus granulosus	cAMP dependent protein kinase regulatory	0.005	0.0118	0.0118
Brugia malayi	Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative	0.005	0.0118	0.0118
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0118	0.0118
Echinococcus granulosus	patatin phospholipase domain containing protein	0.005	0.0118	0.0118
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.005	0.0118	0.0118
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0075	0.0235	0.0235
Brugia malayi	Hexokinase family protein	0.1349	0.623	0.623
Trypanosoma cruzi	cAMP response protein 1, putative	0.005	0.0118	0.0118
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0075	0.0235	0.0235
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0561	0.0561
Onchocerca volvulus		0.1349	0.623	0.623
Loa Loa (eye worm)	hypothetical protein	0.006	0.0166	0.0166
Echinococcus granulosus	hexokinase type 2	0.2151	1	1
Trichomonas vaginalis	cAMP-dependent protein kinase type I-beta regulatory subunit, putative	0.005	0.0118	0.0477
Plasmodium falciparum	cAMP-dependent protein kinase regulatory subunit	0.005	0.0118	0.0092
Mycobacterium tuberculosis	Conserved hypothetical protein	0.005	0.0118	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0087	0.0087
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.005	0.0118	0.0118
Schistosoma mansoni	voltage-gated potassium channel	0.011	0.0398	0.0398
Schistosoma mansoni	voltage-gated potassium channel	0.0413	0.1826	0.1826
Trypanosoma cruzi	Flagellar Member 6	0.005	0.0118	0.0118
Mycobacterium leprae	Conserved hypothetical protein	0.005	0.0118	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0075	0.0235	0.0235
Plasmodium vivax	hexokinase, putative	0.2151	1	1
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0035	0.0046	0.0046
Chlamydia trachomatis	cAMP-dependent protein kinase regulatory subunit	0.005	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.1467	0.6783	0.6783
Leishmania major	hypothetical protein, conserved	0.005	0.0118	0.0118
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.005	0.0118	0.0118
Loa Loa (eye worm)	hexokinase	0.1349	0.623	0.623
Mycobacterium ulcerans	regulatory protein	0.005	0.0118	0.5
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0075	0.0235	0.0235
Toxoplasma gondii	protein kinase G AGC kinase family member PKG	0.005	0.0118	0.0118
Mycobacterium ulcerans	transmembrane transport protein	0.005	0.0118	0.5
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0075	0.0235	0.0235
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0378	0.1662	0.1662
Mycobacterium ulcerans	hypothetical protein	0.005	0.0118	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.011	0.0398	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0077	0.0077
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0026	0.0026
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.005	0.0118	0.0118
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0075	0.0235	0.0235
Mycobacterium ulcerans	hypothetical protein	0.005	0.0118	0.5
Schistosoma mansoni	60S ribosomal protein L21	0.006	0.0163	0.0163
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0077	0.0077
Brugia malayi	Hexokinase family protein	0.0665	0.3013	0.3013
Schistosoma mansoni	hypothetical protein	0.0205	0.0846	0.0846
Loa Loa (eye worm)	hexokinase	0.0665	0.3013	0.3013
Plasmodium falciparum	cGMP-dependent protein kinase	0.005	0.0118	0.0092
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.011	0.0398	0.0398
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.0118	0.0477
Trichomonas vaginalis	cAMP-dependent protein kinase regulatory subunit, putative	0.005	0.0118	0.0477
Mycobacterium tuberculosis	Conserved protein	0.005	0.0118	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.006	0.0163	0.0163
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0378	0.1662	0.1662
Onchocerca volvulus		0.2151	1	1
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.005	0.0118	0.0118
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0075	0.0235	0.0235
Echinococcus multilocularis	cAMP dependent protein kinase regulatory	0.005	0.0118	0.0118
Echinococcus multilocularis	cAMP dependent protein kinase type I beta	0.005	0.0118	0.0118
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.005	0.0118	0.0118
Plasmodium vivax	CAMP-dependent protein kinase regulatory subunit, putative	0.005	0.0118	0.0092
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0075	0.0235	0.0235
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0075	0.0235	0.0235
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0561	0.0561
Trypanosoma cruzi	protein kinase A regulatory subunit	0.005	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0684	0.31	0.31
Schistosoma mansoni	hypothetical protein	0.0035	0.0046	0.0046
Schistosoma mansoni	camp-dependent protein kinase regulatory chain	0.005	0.0118	0.0118
Toxoplasma gondii	cAMP-dependent protein kinase regulatory subunit	0.005	0.0118	0.0118
Echinococcus multilocularis	hexokinase	0.2151	1	1
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.005	0.0118	0.0118
Schistosoma mansoni	neuropathy target esterase/swiss cheese-related protein	0.005	0.0118	0.0118
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.005	0.0118	0.5
Brugia malayi	cAMP-dependent protein kinase regulatory chain, putative	0.005	0.0118	0.0118
Echinococcus granulosus	hexokinase	0.2151	1	1
Echinococcus multilocularis	hexokinase	0.2151	1	1
Echinococcus granulosus	single minded 2	0.0035	0.0046	0.0046
Trypanosoma brucei	hexokinase	0.2151	1	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0075	0.0235	0.0235
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0075	0.0235	0.0235
Echinococcus granulosus	cAMP dependent protein kinase type I beta	0.005	0.0118	0.0118
Trypanosoma brucei	Flagellar Member 6	0.005	0.0118	0.0118
Leishmania major	hexokinase, putative	0.2151	1	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.005	0.0118	0.0118
Schistosoma mansoni	hexokinase	0.2151	1	1
Trypanosoma brucei	hexokinase	0.2151	1	1
Leishmania major	protein kinase, putative	0.005	0.0118	0.0118
Loa Loa (eye worm)	hexokinase type II	0.2151	1	1
Leishmania major	protein kinase, putative	0.005	0.0118	0.0118
Schistosoma mansoni	camp-dependent protein kinase type I-beta regulatory subunit	0.005	0.0118	0.0118
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.005	0.0118	0.0118
Trypanosoma brucei	protein kinase A regulatory subunit	0.005	0.0118	0.0118
Entamoeba histolytica	hexokinase 2	0.2151	1	1
Leishmania major	regulatory subunit of protein kinase a-like protein	0.005	0.0118	0.0118
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0378	0.1662	0.1662
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.005	0.0118	0.5
Loa Loa (eye worm)	hypothetical protein	0.0684	0.31	0.31
Giardia lamblia	CAMP-dependent protein kinase regulatory chain	0.005	0.0118	0.5
Trypanosoma cruzi	cyclic nucleotide-binding domain containing protein, putative	0.005	0.0118	0.0118
Schistosoma mansoni	voltage-gated potassium channel	0.0413	0.1826	0.1826
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.005	0.0118	0.0118
Schistosoma mansoni	hypothetical protein	0.0205	0.0846	0.0846
Trypanosoma cruzi	hypothetical protein, conserved	0.005	0.0118	0.0118
Leishmania major	hexokinase, putative	0.2151	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0166	0.0166
Mycobacterium tuberculosis	Conserved hypothetical protein	0.005	0.0118	0.5
Echinococcus multilocularis	hexokinase	0.2151	1	1
Trypanosoma cruzi	cAMP binding protein, putative	0.005	0.0118	0.0118
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.005	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.003	0.0026	0.0026
Treponema pallidum	hexokinase (hxk)	0.2151	1	1
Plasmodium vivax	rap guanine nucleotide exchange factor, putative	0.005	0.0118	0.0092
Toxoplasma gondii	hexokinase	0.2151	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.011	0.0398	0.0398
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.005	0.0118	0.5
Echinococcus multilocularis	hexokinase type 2	0.2151	1	1
Leishmania major	cyclic nucleotide-binding protein-like protein	0.005	0.0118	0.0118
Echinococcus granulosus	cGMP dependent protein kinase 1	0.005	0.0118	0.0118
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.449	0.449
Brugia malayi	hexokinase type II	0.0684	0.31	0.31
Leishmania major	hypothetical protein, conserved	0.003	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0235	0.0235
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0035	0.0046	0.0046
Trypanosoma brucei	cAMP binding protein, putative	0.005	0.0118	0.0118
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0075	0.0235	0.0235
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0075	0.0235	0.0235
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0353	0.1545	1
Mycobacterium ulcerans	hypothetical protein	0.005	0.0118	0.5
Echinococcus granulosus	voltage gated potassium channel	0.011	0.0398	0.0398
Schistosoma mansoni	camp-dependent rap1 guanine-nucleotide exchange factor	0.005	0.0118	0.0118
Leishmania major	hypothetical protein, conserved	0.005	0.0118	0.0118
Schistosoma mansoni	camp-dependent protein kinase type II regulatory subunit	0.005	0.0118	0.0118
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.005	0.0118	0.0118
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0118	0.0118
Brugia malayi	Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog	0.005	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0328	0.1427	0.1427
Echinococcus granulosus	hyperpolarization activated cyclic	0.0075	0.0235	0.0235
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0026	0.0026
Onchocerca volvulus		0.2151	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.005	0.0118	0.0477
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0087	0.0087
Schistosoma mansoni	hypothetical protein	0.005	0.0118	0.0118
Brugia malayi	N-terminal motif family protein	0.005	0.0118	0.0118
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0166	0.0166
Brugia malayi	Hexokinase family protein	0.2151	1	1
Echinococcus granulosus	cGMP dependent protein kinase 1	0.005	0.0118	0.0118
Schistosoma mansoni	voltage-gated potassium channel	0.0075	0.0235	0.0235
Loa Loa (eye worm)	cAMP-dependent protein kinase regulatory subunit	0.005	0.0118	0.0118
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.0118	0.0118
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.005	0.0118	0.0118
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0075	0.0235	0.0235
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0235	0.1258
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0026	0.0026
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.005	0.0118	0.5
Echinococcus multilocularis	patatin phospholipase domain containing protein	0.005	0.0118	0.0118
Trypanosoma cruzi	regulatory subunit of protein kinase a-like protein, putative	0.005	0.0118	0.0118
Trypanosoma brucei	hexokinase, putative	0.2151	1	1
Trypanosoma brucei	cyclic nucleotide-binding domain containing protein, putative	0.005	0.0118	0.0118
Brugia malayi	hypothetical protein	0.003	0.0026	0.0026
Plasmodium falciparum	hexokinase	0.2151	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.005	0.0118	0.0477
Leishmania major	hypothetical protein, conserved	0.005	0.0118	0.0118
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0378	0.1662	0.1662
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0087	0.0087
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0075	0.0235	0.0235
Leishmania major	protein kinase A regulatory subunit, putative	0.005	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.005	0.0118	0.0118
Trypanosoma cruzi	cAMP response protein 1	0.005	0.0118	0.0118
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0075	0.0235	0.0235
Echinococcus granulosus	geminin	0.0205	0.0846	0.0846
Schistosoma mansoni	hypothetical protein	0.0043	0.0087	0.0087
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.005	0.0118	0.0118
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0075	0.0235	0.0235
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0075	0.0235	0.1258
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0353	0.1545	1
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0026	0.0026
Loa Loa (eye worm)	AGC/PKG protein kinase	0.005	0.0118	0.0118
Loa Loa (eye worm)	hexokinase	0.2151	1	1
Trypanosoma brucei	cAMP response protein 1, putative	0.005	0.0118	0.0118
Brugia malayi	hypothetical protein	0.0043	0.0087	0.0087
Echinococcus granulosus	hexokinase	0.2151	1	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0075	0.0235	0.0235
Loa Loa (eye worm)	hypothetical protein	0.005	0.0118	0.0118
Brugia malayi	MH2 domain containing protein	0.0144	0.0561	0.0561
Schistosoma mansoni	hypothetical protein	0.0041	0.0077	0.0077
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.011	0.0398	0.0398
Echinococcus multilocularis	cGMP dependent protein kinase 1	0.005	0.0118	0.0118
Trypanosoma cruzi	hexokinase, putative	0.2151	1	1
Onchocerca volvulus	Hexokinase homolog	0.1349	0.623	0.623
Leishmania major	hypothetical protein, unknown function	0.005	0.0118	0.0118
Schistosoma mansoni	camp-dependent protein kinase type II-alpha regulatory subunit	0.005	0.0118	0.0118
Echinococcus granulosus	hexokinase	0.2151	1	1
Onchocerca volvulus		0.005	0.0118	0.0118
Echinococcus multilocularis	voltage gated potassium channel	0.011	0.0398	0.0398
Onchocerca volvulus		0.005	0.0118	0.0118
Schistosoma mansoni	similar to Protein C20orf152 homolog	0.005	0.0118	0.0118
Loa Loa (eye worm)	hexokinase	0.2151	1	1
Mycobacterium ulcerans	hypothetical protein	0.005	0.0118	0.5
Trypanosoma cruzi	hexokinase, putative	0.2151	1	1
Echinococcus multilocularis	expressed conserved protein	0.005	0.0118	0.0118
Entamoeba histolytica	hexokinase 1	0.2151	1	1
Echinococcus granulosus	cGMP dependent protein kinase	0.005	0.0118	0.0118
Brugia malayi	Egg laying defective protein 4	0.005	0.0118	0.0118
Schistosoma mansoni	cyclic nucleotide-gated ion channel	0.005	0.0118	0.0118
Mycobacterium ulcerans	transcriptional regulatory protein	0.005	0.0118	0.5
Toxoplasma gondii	cyclic nucleotide-binding domain-containing protein	0.005	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.011	0.0398	0.0398

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0041 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)	5.8048 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)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.081 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)	50.1187 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1724724

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1484780