TDR Targets

Basic information

Technical information

TDR Targets ID: 1456923
Name: 1,4,5,7-tetramethyl-6-(1-phenylethyl)pyrrolo[ 3,4-d]pyridazine
MW: 279.379 | Formula: C18H21N3
H donors: 0 H acceptors: 2 LogP: 3.43 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nnc(c2c1c(C)n(c2C)C(c1ccccc1)C)C
InChi: 1S/C18H21N3/c1-11-17-14(4)21(13(3)16-9-7-6-8-10-16)15(5)18(17)12(2)20-19-11/h6-10,13H,1-5H3
InChiKey: PPODLARJHQHUIQ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

BAS 04212511
1,4,5,7-Tetramethyl-6-(1-phenyl-ethyl)-6H-pyrrolo[3,4-d]pyridazine
STK037344
SMR000012758
MLS000032889

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
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
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	mixed-lineage leukemia protein mll	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
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
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
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
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 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
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
Brugia malayi	jmjC domain containing protein	0.0019	0.0139	0.0801
Leishmania major	hypothetical protein, conserved	0.0019	0.0139	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0036	0.0038
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0309	0.211
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.4317	0.5
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.0139	0.5
Echinococcus multilocularis	geminin	0.0205	0.2462	0.3565
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.2059	0.0833
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0139	0.1318
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.0139	0.0188
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0021	0.0163	0.0224
Echinococcus granulosus	phd:f box containing protein	0.0019	0.0139	0.0188
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.012	0.0658
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.2059	0.0833
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.0815	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0139	0.1318
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0336	0.2313
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0115	0.1337	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.6888	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0073	0.0815	0.1327
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0115	0.1337	0.5
Echinococcus granulosus	intermediate filament protein	0.0033	0.0309	0.0436
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.079	0.1135
Onchocerca volvulus		0.0035	0.0336	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0815	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0073	0.0815	0.1171
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Echinococcus multilocularis	Aminotransferase class III	0.0115	0.1337	0.193
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0807	1	1
Echinococcus multilocularis	lamin dm0	0.0033	0.0309	0.0436
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0309	0.0493
Brugia malayi	jmjC domain containing protein	0.0071	0.079	0.5802
Brugia malayi	jmjC domain containing protein	0.0019	0.0139	0.0801
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0139	0.1318
Brugia malayi	jmjC domain containing protein	0.0019	0.0139	0.0801
Echinococcus granulosus	cpg binding protein	0.0037	0.036	0.051
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.0139	0.0213
Echinococcus granulosus	ornithine aminotransferase	0.0115	0.1337	0.193
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.4317	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0098	0.0801
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.6888	1
Echinococcus granulosus	geminin	0.0205	0.2462	0.3565
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.079	0.1135
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.0139	0.0188
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.0139	0.0188
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0139	0.1318
Schistosoma mansoni	hypothetical protein	0.0205	0.2462	0.4039
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.0139	0.0213
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0021	0.0163	0.0224
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0016	0.0098	0.0129
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0091	0.0705
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.6081	0.8827
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.0139	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0091	0.0705
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.079	0.1286
Schistosoma mansoni	hypothetical protein	0.0494	0.6081	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0336	0.3846
Echinococcus multilocularis	cpg binding protein	0.0037	0.036	0.051
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0302	0.3411
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.2059	0.0833
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0139	0.1318
Schistosoma mansoni	lamin	0.0033	0.0309	0.0493
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0139	0.1318
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0019	0.0139	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.6081	0.8827
Echinococcus granulosus	Aminotransferase class III	0.0115	0.1337	0.193
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0807	1	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0724	0.4881
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.6888	1
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0115	0.1337	1
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0115	0.1337	1
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.0139	0.0213
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0822	0.1338
Echinococcus granulosus	lamin	0.0033	0.0309	0.0436
Schistosoma mansoni	lamin	0.0033	0.0309	0.0493
Echinococcus multilocularis	ornithine aminotransferase	0.0115	0.1337	0.193
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.4317	0.5
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0115	0.1337	0.2187
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.079	0.1135
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.0139	0.0188
Mycobacterium tuberculosis	Probable aminotransferase	0.0807	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.4317	0.5
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.0139	0.0188
Echinococcus multilocularis	musashi	0.0033	0.0309	0.0436
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0807	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.6888	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.0139	0.0213
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0016	0.0098	0.0129
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Echinococcus multilocularis	lamin	0.0033	0.0309	0.0436
Brugia malayi	jmjC domain containing protein	0.0073	0.0815	0.5992
Brugia malayi	jmjC domain containing protein	0.0019	0.0139	0.0801
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4317	0.4317
Brugia malayi	intermediate filament protein	0.0033	0.0309	0.211
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.0139	0.0213
Plasmodium vivax	ornithine aminotransferase, putative	0.0115	0.1337	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.012	0.1078
Schistosoma mansoni	cpg binding protein	0.0037	0.036	0.0578
Schistosoma mansoni	hypothetical protein	0.0205	0.2462	0.4039
Echinococcus granulosus	lamin dm0	0.0033	0.0309	0.0436
Schistosoma mansoni	cpg binding protein	0.0035	0.0336	0.0537
Echinococcus multilocularis	ornithine aminotransferase	0.0115	0.1337	0.193
Plasmodium falciparum	ornithine aminotransferase	0.0115	0.1337	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0309	0.3507
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0036	0.0038
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.0139	0.0188
Schistosoma mansoni	cpg binding protein	0.0037	0.036	0.0578
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0019	0.0139	0.5
Mycobacterium ulcerans	hypothetical protein	0.0807	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0309	0.3507
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0309	0.3507

Activities

Activity type	Activity value	Assay description	Source	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 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)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 11.2202 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	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: 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
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)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 89.1251 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory)	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: CHEMBL1612763

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1456923