TDR Targets

Basic information

Technical information

TDR Targets ID: 1194190
Name: 2-[[4-[4-(difluoromethylsulfanyl)phenyl]-5-py ridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3, 4-dihydro-2H-quinolin-1-yl)ethanone
MW: 509.594 | Formula: C25H21F2N5OS2
H donors: 0 H acceptors: 4 LogP: 5.46 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: FC(Sc1ccc(cc1)n1c(SCC(=O)N2CCCc3c2cccc3)nnc1c1cccnc1)F
InChi: 1S/C25H21F2N5OS2/c26-24(27)35-20-11-9-19(10-12-20)32-23(18-6-3-13-28-15-18)29-30-25(32)34-16-22(33)31-14-4-7-17-5-1-2-8-21(17)31/h1-3,5-6,8-13,15,24H,4,7,14,16H2
InChiKey: DRHBEDSINQRHRV-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

2-[[4-[4-(difluoromethylsulfanyl)phenyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
2-[[4-[4-(difluoromethylthio)phenyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
MLS000391616
SMR000260651
T0509-6774

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0027	0.0464	0.082
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0027	0.0464	1
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0027	0.0464	0.0464
Treponema pallidum	pfs protein (pfs)	0.0027	0.0464	1
Schistosoma mansoni	hypothetical protein	0.0205	0.6091	0.6091
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Leishmania major	methylthioadenosine phosphorylase, putative	0.0027	0.0464	0.082
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0027	0.0464	1
Echinococcus granulosus	inosine guanosine and xanthosine phosphorylase	0.0103	0.2869	0.4711
Schistosoma mansoni	uridine phosphorylase	0.0027	0.0464	0.0464
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.013	0.3719	0.3503
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0144	0.4157	0.6825
Brugia malayi	uridine phosphorylase family protein	0.0027	0.0464	0.0464
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0144	0.4157	0.6825
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.013	0.3719	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0027	0.0464	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0023	0.0333	0.0546
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0027	0.0464	1
Schistosoma mansoni	glutaminase	0.0328	1	1
Mycobacterium leprae	Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP)	0.013	0.3719	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Plasmodium falciparum	purine nucleoside phosphorylase	0.0027	0.0464	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.1935	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1935	0.1935
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0103	0.2869	0.2869
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0144	0.4157	0.4157
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0023	0.0333	0.0546
Brugia malayi	MTAP	0.0027	0.0464	0.0464
Giardia lamblia	UPL-1	0.0027	0.0464	0.0388
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1935	0.1657
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Entamoeba histolytica	hypothetical protein	0.0027	0.0464	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0023	0.0333	0.0333
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0027	0.0464	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Mycobacterium ulcerans	glutaminase	0.0328	1	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.013	0.3719	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Trypanosoma brucei	uridine phosphorylase	0.0027	0.0464	1
Loa Loa (eye worm)	glutaminase 2	0.0328	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0144	0.4157	0.6825
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0023	0.0333	0.0333
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.013	0.3719	1
Loa Loa (eye worm)	uridine phosphorylase	0.0027	0.0464	0.0464
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0027	0.0464	0.0388
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.1935	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0027	0.0464	0.0388
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0103	0.2869	0.4711
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0144	0.4157	0.4157
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.013	0.3719	0.3503
Schistosoma mansoni	ap endonuclease	0.0023	0.0333	0.0333
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0464	0.0136
Chlamydia trachomatis	AMP nucleosidase	0.0027	0.0464	0.5
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0027	0.0464	0.0464
Schistosoma mansoni	ap endonuclease	0.0023	0.0333	0.0333
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0027	0.0464	0.0762
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0027	0.0464	0.0464
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.1935	0.473
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0144	0.4157	0.4157
Mycobacterium tuberculosis	Hypothetical protein	0.0027	0.0464	0.0388
Toxoplasma gondii	phosphorylase family protein	0.0027	0.0464	0.082
Schistosoma mansoni	purine nucleoside phosphorylase	0.013	0.3719	0.3719
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.1935	0.3176
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Loa Loa (eye worm)	glutaminase	0.0328	1	1
Echinococcus granulosus	geminin	0.0205	0.6091	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.1935	0.1935
Toxoplasma gondii	phosphorylase family protein	0.0027	0.0464	0.082
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0027	0.0464	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0027	0.0464	0.0464
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0027	0.0464	0.0136
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0144	0.4157	0.4157
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.013	0.3719	0.3719
Echinococcus multilocularis	uridine phosphorylase 1	0.0027	0.0464	0.0762
Schistosoma mansoni	hypothetical protein	0.0205	0.6091	0.6091
Treponema pallidum	uridine phosphorylase (udp)	0.0027	0.0464	1
Leishmania major	nucleoside phosphorylase-like protein	0.0027	0.0464	0.082
Schistosoma mansoni	uridine phosphorylase	0.0027	0.0464	0.0464
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0027	0.0464	0.0388
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0027	0.0464	0.0136
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0027	0.0464	0.0136
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0027	0.0464	0.0762
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0027	0.0464	1
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Echinococcus granulosus	uridine phosphorylase 1	0.0027	0.0464	0.0762
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0103	0.2869	0.4711
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0464	0.0136
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0027	0.0464	0.0388
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0023	0.0333	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0144	0.4157	0.6825
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1935	0.1657
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0027	0.0464	1
Schistosoma mansoni	purine nucleoside phosphorylase	0.013	0.3719	0.3719
Echinococcus multilocularis	geminin	0.0205	0.6091	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.1935	0.3176
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0027	0.0464	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.1935	0.1657
Echinococcus multilocularis	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Trichomonas vaginalis	glutaminase, putative	0.0328	1	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0144	0.4157	0.4157
Echinococcus granulosus	purine nucleoside phosphorylase	0.013	0.3719	0.6107

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.5174 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)	10.4179 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)	11.6891 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)	12.5893 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 19.9526 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)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 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)	29.0929 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)	29.0929 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)	44.6684 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)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1336200

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1194190