TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.355 | Formula: C19H17F2N3O
H donors: 1 H acceptors: 1 LogP: 4.35 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1[nH]n(c(=O)c1/C=N/c1cccc(c1)F)c1ccc(cc1)F
InChi: 1S/C19H17F2N3O/c1-2-4-18-17(12-22-15-6-3-5-14(21)11-15)19(25)24(23-18)16-9-7-13(20)8-10-16/h3,5-12,23H,2,4H2,1H3/b22-12+
InChiKey: HHYDDWAQXKPGLS-WSDLNYQXSA-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	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	isocitrate dehydrogenase 1 (NADP+), soluble	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Babesia bovis	isocitrate dehydrogenase, NADP-dependent family protein	Get druggable targets OG5_127057	All targets in OG5_127057
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
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
Schistosoma japonicum	ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium knowlesi	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical 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
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
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
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	Mitochondrial NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma brucei gambiense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Theileria parva	isocitrate dehydrogenase (NADP+), putative	Get druggable targets OG5_127057	All targets in OG5_127057
Toxoplasma gondii	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania donovani	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	Get druggable targets OG5_127057	All targets in OG5_127057
Trypanosoma congolense	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania infantum	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	N terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Plasmodium yoelii	isocitrate dehydrogenase, NADP-dependent	Get druggable targets OG5_127057	All targets in OG5_127057
Candida albicans	C terminus of cytosolic NADP-specific isocitrate dehydrogenase.	Get druggable targets OG5_127057	All targets in OG5_127057
Neospora caninum	Isocitrate dehydrogenase-like protein, related	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	hypothetical protein	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	Isocitrate dehydrogenase	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma cruzi	isocitrate dehydrogenase, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Plasmodium berghei	isocitrate dehydrogenase [NADP], mitochondrial, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	Get druggable targets OG5_127057	All targets in OG5_127057
Loa Loa (eye worm)	intermediate filament tail domain-containing 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
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Leishmania mexicana	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Trypanosoma brucei gambiense	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Leishmania braziliensis	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	Get druggable targets OG5_127057	All targets in OG5_127057
Echinococcus granulosus	lamin	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
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 %
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0846	0.0689
Echinococcus granulosus	neuroligin	0.0036	0.1034	0.1034
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0846	0.0846
Onchocerca volvulus		0.0036	0.1034	0.0249
Onchocerca volvulus		0.0182	0.8375	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0169	0.0169
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1985	0.1915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1985	0.1847
Onchocerca volvulus		0.0036	0.1034	0.0249
Schistosoma mansoni	hypothetical protein	0.0205	0.9487	0.9478
Mycobacterium ulcerans	carboxylesterase, LipT	0.0036	0.1034	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0215	1	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0087	0.0087
Schistosoma mansoni	lamin	0.0033	0.0846	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0215	1	1
Onchocerca volvulus		0.0036	0.1034	0.0249
Leishmania major	hypothetical protein, conserved	0.003	0.0739	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.6451	0.6451
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0036	0.1034	0.1034
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0019	0.0169	0.0169
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1985	0.1985
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0739	1
Echinococcus granulosus	BC026374 protein S09 family	0.0036	0.1034	0.1034
Brugia malayi	Carboxylesterase family protein	0.0215	1	1
Brugia malayi	hypothetical protein	0.0036	0.1034	0.0955
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1985	0.1985
Echinococcus multilocularis	isocitrate dehydrogenase	0.0019	0.0169	0.0169
Brugia malayi	Carboxylesterase family protein	0.0036	0.1034	0.0955
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0169	0.0169
Brugia malayi	MH2 domain containing protein	0.0144	0.6451	0.642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1985	0.1985
Brugia malayi	isocitrate dehydrogenase	0.0019	0.0169	0.0083
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0215	1	1
Brugia malayi	hypothetical protein	0.002	0.0198	0.0112
Loa Loa (eye worm)	carboxylesterase	0.0215	1	1
Brugia malayi	Carboxylesterase family protein	0.0036	0.1034	0.0955
Echinococcus multilocularis	acetylcholinesterase	0.0215	1	1
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0739	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0739	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0816	0.0816
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1034	0.088
Echinococcus multilocularis	para nitrobenzyl esterase	0.0036	0.1034	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0739	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0739	1
Echinococcus granulosus	geminin	0.0205	0.9487	0.9487
Echinococcus granulosus	acetylcholinesterase	0.0215	1	1
Brugia malayi	hypothetical protein	0.003	0.0739	0.0658
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.6451	0.6451
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0036	0.1034	1
Onchocerca volvulus		0.0036	0.1034	0.0249
Schistosoma mansoni	gliotactin	0.0036	0.1034	0.088
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1034	0.088
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0846	0.0846
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1985	0.1985
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0019	0.0169	0.0169
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0739	1
Loa Loa (eye worm)	hypothetical protein	0.0215	1	1
Schistosoma mansoni	lamin	0.0033	0.0846	0.0689
Loa Loa (eye worm)	carboxylesterase	0.0036	0.1034	0.1034
Echinococcus multilocularis	neuroligin	0.0036	0.1034	0.1034
Schistosoma mansoni	acetylcholinesterase	0.0036	0.1034	0.088
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0019	0.0169	0.0169
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0036	0.1034	0.1034
Echinococcus granulosus	para nitrobenzyl esterase	0.0036	0.1034	0.1034
Echinococcus granulosus	lamin	0.0033	0.0846	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1985	0.1847
Schistosoma mansoni	hypothetical protein	0.0205	0.9487	0.9478
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0019	0.0169	0.0169
Echinococcus granulosus	lamin dm0	0.0033	0.0846	0.0846
Brugia malayi	Carboxylesterase family protein	0.0036	0.1034	0.0955
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0036	0.1034	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Echinococcus multilocularis	geminin	0.0205	0.9487	0.9487
Loa Loa (eye worm)	hypothetical protein	0.003	0.0739	0.0739
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1985	0.1985
Loa Loa (eye worm)	acetylcholinesterase 1	0.0215	1	1
Echinococcus multilocularis	lamin	0.0033	0.0846	0.0846
Brugia malayi	intermediate filament protein	0.0033	0.0846	0.0766
Loa Loa (eye worm)	hypothetical protein	0.0182	0.8375	0.8375
Echinococcus multilocularis	carboxylesterase 5A	0.0215	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0036	0.1034	0.088
Echinococcus multilocularis	lamin dm0	0.0033	0.0846	0.0846
Echinococcus granulosus	intermediate filament protein	0.0033	0.0846	0.0846
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1985	0.1847
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Echinococcus multilocularis	musashi	0.0033	0.0846	0.0846
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0846	0.0766
Loa Loa (eye worm)	carboxylesterase	0.0036	0.1034	0.1034
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0846	0.0846
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0036	0.1034	0.088
Schistosoma mansoni	BC026374 protein (S09 family)	0.0036	0.1034	0.088
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0036	0.1034	0.1034
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0036	0.1034	1
Echinococcus granulosus	acetylcholinesterase	0.0215	1	1
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0739	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0036	0.1034	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0019	0.0169	0.0083
Onchocerca volvulus		0.0036	0.1034	0.0249
Brugia malayi	hypothetical protein	0.0182	0.8375	0.836
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Brugia malayi	Carboxylesterase family protein	0.0036	0.1034	0.0955
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0036	0.1034	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.1034
Echinococcus granulosus	carboxylesterase 5A	0.0215	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5221 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)	2.8184 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)	2.8184 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.0795 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3078 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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)	20.5962 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)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))]	ChEMBL.	No reference
Potency (binding)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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

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: CHEMBL3145286

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1855030