TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 238.245 | Formula: C13H10N4O
H donors: 2 H acceptors: 3 LogP: 2.51 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1c(/C=N/c2n[nH]cn2)ccc2c1cccc2
InChi: 1S/C13H10N4O/c18-12-10(7-14-13-15-8-16-17-13)6-5-9-3-1-2-4-11(9)12/h1-8,18H,(H,15,16,17)/b14-7+
InChiKey: KMKDBJRZLMJMIR-VGOFMYFVSA-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
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
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	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.0716	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3002	0.3002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.0571	0.2771
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0416	0.1259	0.8088
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.019	0.0316	0.1053
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0487	0.1556	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0178	0.0266	0.1527
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0487	0.1556	0.4922
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.019	0.0316	0.1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.019	0.0316	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0679	0.2358	0.7854
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3002	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.019	0.0316	0.0316
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.0241	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0608	0.206	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0487	0.1556	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0126	0.0047	0.1478
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0192	0.0323	0.1851
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0378	0.11	0.7069
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0126	0.0047	0.1478
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0679	0.2358	0.2358
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.0241	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.019	0.0316	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0178	0.0266	0.0842
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.019	0.0316	0.1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.019	0.0316	0.1
Brugia malayi	hypothetical protein	0.0532	0.1743	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0437	0.1347	0.8653
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.019	0.0316	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0871	0.3162	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.019	0.0316	0.0316
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0307	0.0803	0.8007
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0288	0.0722	0.0722
Loa Loa (eye worm)	hypothetical protein	0.02	0.0355	0.1722
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0487	0.1556	0.4922
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.019	0.0316	0.1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.019	0.0316	0.0316
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Loa Loa (eye worm)	phosphatidylinositol 3	0.0128	0.0057	0.0275
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0178	0.0266	0.1711
Loa Loa (eye worm)	phosphatidylinositol 3	0.019	0.0316	0.1535
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0487	0.1556	0.8927
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.019	0.0316	0.1053
Toxoplasma gondii	target of rapamycin (TOR), putative	0.019	0.0316	1
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3002	0.3002
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.019	0.0316	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.019	0.0316	0.1814
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.0995	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0115	0.000000006308	0.00000002101
Loa Loa (eye worm)	phosphatidylinositol 3	0.019	0.0316	0.1535
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.019	0.0316	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2508	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0126	0.0047	0.03
Trypanosoma cruzi	target of rapamycin kinase 3	0.019	0.0316	0.1
Loa Loa (eye worm)	hypothetical protein	0.0126	0.0047	0.0227
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.019	0.0316	0.2032
Leishmania major	hypothetical protein, conserved	0.0922	0.3371	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0487	0.1556	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0288	0.0722	0.0722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Loa Loa (eye worm)	hypothetical protein	0.0225	0.0462	0.2241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0128	0.0057	0.0179
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0178	0.0266	0.1711
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.019	0.0316	0.0316
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0288	0.0722	0.4144
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.019	0.0316	0.1814
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0178	0.0266	0.0887
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.0995	1
Entamoeba histolytica	hypothetical protein	0.0416	0.1259	0.8088
Brugia malayi	Pre-SET motif family protein	0.0251	0.0571	0.3275
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0679	0.2358	0.2358
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0216	0.0425	0.273
Loa Loa (eye worm)	hypothetical protein	0.0288	0.0722	0.3506
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0047	0.03
Giardia lamblia	GTOR	0.019	0.0316	0.2979
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0178	0.0266	0.1711
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0378	0.11	0.7069
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0178	0.0266	0.1711
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0178	0.0266	0.842
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.0241	0.5
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0487	0.1556	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0316	0.2032
Onchocerca volvulus		0.0286	0.0716	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0178	0.0266	0.1711
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0995	0.6397
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.019	0.0316	0.2032

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.2387 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)	= 8.8914 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)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Primary screen confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ]	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)	= 17.7828 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)	19.9526 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.9341 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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-7. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	= 35.4813 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Rabbit FBPA Selectivity. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	53.5818 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Coupling assay counterscreen confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 89.1251 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)	89.1251 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

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: CHEMBL3194486
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Detailed information for compound 822169