TDR Targets

Basic information

Technical information

TDR Targets ID: 1604588
Name: 3,4-dimethoxy-N-(1-pyridin-2-ylethylideneamin o)benzamide
MW: 299.324 | Formula: C16H17N3O3
H donors: 1 H acceptors: 2 LogP: 2.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C(=O)N/N=C(/c1ccccn1)\C
InChi: 1S/C16H17N3O3/c1-11(13-6-4-5-9-17-13)18-19-16(20)12-7-8-14(21-2)15(10-12)22-3/h4-10H,1-3H3,(H,19,20)/b18-11+
InChiKey: RVSZFFNLOBBBAT-WOJGMQOQSA-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

3,4-dimethoxy-N-[1-(2-pyridyl)ethylideneamino]benzamide
6383-85-3
IVK/8076109

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	breast cancer 1, early onset	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
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_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0309	0.0443
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0072	0.0103
Loa Loa (eye worm)	hypothetical protein	0.006	0.0477	0.3167
Brugia malayi	Bromodomain containing protein	0.0046	0.0338	0.0399
Schistosoma mansoni	bromodomain containing protein	0.0076	0.065	0.0932
Schistosoma mansoni	hypothetical protein	0.0025	0.0117	0.0167
Toxoplasma gondii	dihydroorotate dehydrogenase reveal, putative	0.0687	0.6972	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0392	0.2501
Echinococcus multilocularis	tumor protein p63	0.0408	0.4084	0.4084
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0338	0.2083
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0308	0.0308
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0268	0.2636	0.6455
Trypanosoma brucei	dihydroorotate dehydrogenase (fumarate)	0.0687	0.6972	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0687	0.6972	1
Brugia malayi	Zinc finger, C2H2 type family protein	0.0268	0.2636	0.3725
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0268	0.2636	0.2636
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Leishmania major	dihydroorotate dehydrogenase	0.0687	0.6972	1
Echinococcus granulosus	zinc finger protein	0.0024	0.0103	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Echinococcus multilocularis	zinc finger protein	0.0024	0.0103	0.0103
Mycobacterium leprae	Probable dihydroorotate dehydrogenase PyrD	0.0687	0.6972	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0743	0.5245
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0309	0.0374
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0174	0.0179
Echinococcus granulosus	geminin	0.0205	0.1978	0.4842
Schistosoma mansoni	zinc finger protein	0.0018	0.005	0.0072
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0021	0.0072	0.0103
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0268	0.2636	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0309	0.0756
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0268	0.2636	1
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0174	0.0179
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0268	0.2636	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Schistosoma mansoni	zinc finger protein	0.0024	0.0103	0.0148
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0072	0.0103
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0309	0.1852
Toxoplasma gondii	ABC1 family protein	0.0043	0.0309	0.0199
Leishmania major	hypothetical protein, conserved	0.0043	0.0309	0.0374
Leishmania major	hypothetical protein, conserved	0.003	0.0174	0.0179
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0309	0.0755
Mycobacterium tuberculosis	Probable dihydroorotate dehydrogenase PyrD	0.0687	0.6972	1
Brugia malayi	hypothetical protein	0.0043	0.0309	0.0357
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0309	0.0199
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0268	0.2636	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0309	0.0357
Brugia malayi	hypothetical protein	0.003	0.0174	0.0162
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0309	0.0443
Brugia malayi	MH2 domain containing protein	0.0144	0.1352	0.1866
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.008	0.006
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0309	0.0374
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0687	0.6972	1
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0021	0.0072	0.0176
Brugia malayi	beta-lactamase family protein	0.0043	0.0309	0.0357
Plasmodium vivax	dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0687	0.6972	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1352	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1978	0.2837
Brugia malayi	beta-lactamase	0.0043	0.0309	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Echinococcus granulosus	histone lysine methyltransferase setb	0.0021	0.0072	0.0176
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0605	0.1482
Schistosoma mansoni	hypothetical protein	0.0043	0.0309	0.0443
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0268	0.2636	1
Plasmodium falciparum	dihydroorotate dehydrogenase	0.0687	0.6972	1
Onchocerca volvulus		0.006	0.0477	1
Schistosoma mansoni	hypothetical protein	0.0205	0.1978	0.2837
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0021	0.0072	0.0072
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0141	0.0202
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0141	0.0141
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0141	0.0344
Echinococcus multilocularis	geminin	0.0205	0.1978	0.1978
Schistosoma mansoni	dihydroorotate dehydrogenase	0.0687	0.6972	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0309	0.0374
Brugia malayi	Bromodomain containing protein	0.0091	0.0797	0.1063
Mycobacterium ulcerans	dihydroorotate dehydrogenase 2	0.0687	0.6972	1
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0687	0.6972	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0309	0.0443
Trypanosoma cruzi	dihydroorotate dehydrogenase, putative	0.0268	0.2636	0.3736
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1352	1
Wolbachia endosymbiont of Brugia malayi	dihydroorotate dehydrogenase 2	0.0687	0.6972	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0309	0.0309
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0268	0.2636	0.6455
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0021	0.0072	0.0103
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0309	0.1852
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0368	0.2314
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0477	0.0684
Echinococcus granulosus	tumor protein p63	0.0408	0.4084	1
Trypanosoma cruzi	dihydroorotate dehydrogenase (fumarate), putative	0.0687	0.6972	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0174	0.0797
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0268	0.2636	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2735	0.3641
Brugia malayi	PHD-finger family protein	0.003	0.017	0.0156
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0268	0.2636	1
Schistosoma mansoni	hypothetical protein	0.0018	0.005	0.0072
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0174	0.0179
Brugia malayi	beta-lactamase family protein	0.0043	0.0309	0.0357
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0309	0.0309
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0021	0.0072	0.0072
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0268	0.2636	0.2636
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0117	0.035
Brugia malayi	Dihydroorotate dehydrogenase, mitochondrial precursor, putative	0.0687	0.6972	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0605	0.0605
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0309	0.1852
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0308	0.0754

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 1.23 uM	PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compounds Cytotoxic to RAS-Dependent BJ-TERT-LT-ST Fibroblast. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1554, AID1674]	ChEMBL.	No reference
EC50 (functional)	= 2.072 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	= 4.384 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
EC50 (functional)	= 9.022 um	PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)]	ChEMBL.	No reference
IC50 (functional)	2.93 uM	PUBCHEM_BIOASSAY: Discovery of Small Molecule Probes for H1N1 Influenza NS1A. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504399]	ChEMBL.	No reference
Potency (functional)	0.2818 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.3548 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.5623 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7943 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7943 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	1.4581 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)	1.6511 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)	1.7783 uM	PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	3.2643 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)	3.5481 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.1735 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)	5.6234 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)	6.5104 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	6.5104 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)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 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)	12.9953 uM	PubChem BioAssay. qHTS assay for re-activators of p53 using a Luc reporter: Hit Validation. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 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)	22.3872 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)	25.1189 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	26.8545 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1987938

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1604588