TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 392.536 | Formula: C21H36N4O3
H donors: 3 H acceptors: 3 LogP: 4.1 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C1CCc2c(C1)c([nH]n2)C(=O)NCCCNC(=O)OC(C)(C)C)(C)C
InChi: 1S/C21H36N4O3/c1-7-21(5,6)14-9-10-16-15(13-14)17(25-24-16)18(26)22-11-8-12-23-19(27)28-20(2,3)4/h14H,7-13H2,1-6H3,(H,22,26)(H,23,27)(H,24,25)
InChiKey: IMWWYBXJHRRFNF-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	fatty acid synthase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsB	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Probable polyketide synthase Pks1	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks4	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	KR domain domain-containing protein, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	type I fatty acid synthase, putative	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	Get druggable targets OG5_126633	All targets in OG5_126633
Onchocerca volvulus	Fatty acid synthase homolog	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsE	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium parvum	type I fatty acid synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	Short-chain dehydrogenase/reductase SDR, related	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126633	All targets in OG5_126633
Onchocerca volvulus		Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase Pks9	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	Polyketide synthase Pks13	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks12	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	acyl carrier protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Polyketide synthase Pks2	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium ulcerans	Type I modular polyketide synthase	Get druggable targets OG5_126633	All targets in OG5_126633
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	Get druggable targets OG5_126633	All targets in OG5_126633
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	Get druggable targets OG5_126633	All targets in OG5_126633
Neospora caninum	Soraphen polyketide synthase A, related	Get druggable targets OG5_126633	All targets in OG5_126633

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium ulcerans	polyketide synthase	0.0032	0.0037	0.0194
Loa Loa (eye worm)	hypothetical protein	0.3792	0.713	0.9053
Schistosoma mansoni	BC026374 protein (S09 family)	0.0641	0.1186	0.1645
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.0032	0.027
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0034	0.0285
Trypanosoma cruzi	UDP-galactopyranose mutase	0.002	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.0034	0.0285
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.002	0.0016	0.0009
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0641	0.1186	0.1645
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.002	0.0016	0.5
Mycobacterium ulcerans	dehydrogenase	0.002	0.0016	0.0009
Echinococcus multilocularis	acetylcholinesterase	0.3792	0.713	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.3792	0.713	0.9053
Schistosoma mansoni	gliotactin	0.0641	0.1186	0.1645
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.0037	0.0315
Mycobacterium ulcerans	carboxylesterase, LipT	0.0641	0.1186	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.0034	0.4065
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0641	0.1186	1
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.002	0.0016	0.5
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.0034	0.0285
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.002	0.0016	0.3129
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.003	0.0014
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Loa Loa (eye worm)	carboxylesterase	0.0641	0.1186	0.1502
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.002	0.0016	0.022
Loa Loa (eye worm)	carboxylesterase	0.0641	0.1186	0.1502
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.0037	0.481
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0641	0.1186	0.1645
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.002	0.0016	0.5
Leishmania major	UDP-galactopyranose mutase	0.002	0.0016	0.5
Mycobacterium ulcerans	oxidoreductase	0.002	0.0016	0.0009
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.0079	0.0544
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.0037	0.0194
Mycobacterium ulcerans	thioesterase	0.0025	0.0024	0.0083
Loa Loa (eye worm)	fatty acid synthase	0.003	0.0033	0.0038
Brugia malayi	Carboxylesterase family protein	0.0641	0.1186	0.1172
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.3792	0.713	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.0037	0.0315
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0034	0.0164
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.0023	0.0069
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.0014	0.2574
Brugia malayi	Carboxylesterase family protein	0.0641	0.1186	0.1172
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.0037	0.481
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.029	0.0524	0.4353
Onchocerca volvulus		0.0641	0.1186	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0023	0.0069
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0641	0.1186	0.1645
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.0023	0.172
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.0032	0.027
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.029	0.0524	0.4353
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.003	0.0253
Loa Loa (eye worm)	hypothetical protein	0.3792	0.713	0.9053
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0037	0.0194
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0085	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.0062	0.0521
Onchocerca volvulus		0.0028	0.003	0.0123
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.0062	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.0018	0.015
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0034	0.0164
Trypanosoma cruzi	UDP-galactopyranose mutase	0.002	0.0016	0.5
Schistosoma mansoni	acetylcholinesterase	0.0641	0.1186	0.1645
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0641	0.1186	0.5
Echinococcus multilocularis	acetylcholinesterase	0.3792	0.713	1
Echinococcus multilocularis	neuroligin	0.0641	0.1186	0.1645
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.0017	0.3708
Loa Loa (eye worm)	hypothetical protein	0.1123	0.2096	0.2658
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.0024	0.0205
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0641	0.1186	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0641	0.1186	0.1645
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.0037	1
Brugia malayi	Carboxylesterase family protein	0.3792	0.713	0.7125
Echinococcus multilocularis	para nitrobenzyl esterase	0.0641	0.1186	0.1645
Onchocerca volvulus		0.0641	0.1186	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.027	0.0486	0.4098
Echinococcus granulosus	carboxylesterase 5A	0.3792	0.713	1
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.002	0.0016	0.5
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0034	0.0164
Chlamydia trachomatis	protoporphyrinogen oxidase	0.002	0.0016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Toxoplasma gondii	histone lysine-specific demethylase	0.002	0.0016	0.3129
Brugia malayi	Carboxylesterase family protein	0.3792	0.713	0.7125
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0641	0.1186	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0072	0.0088
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.0023	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0009	0.0007
Onchocerca volvulus		0.0641	0.1186	1
Brugia malayi	hypothetical protein	0.0641	0.1186	0.1172
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.0024	0.2064
Loa Loa (eye worm)	carboxylesterase	0.3792	0.713	0.9053
Loa Loa (eye worm)	hypothetical protein	0.4187	0.7875	1
Plasmodium vivax	hypothetical protein, conserved	0.002	0.0016	0.5
Echinococcus granulosus	BC026374 protein S09 family	0.0641	0.1186	0.1645
Onchocerca volvulus		0.0641	0.1186	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0016	0.0132
Brugia malayi	Carboxylesterase family protein	0.0641	0.1186	0.1172
Mycobacterium ulcerans	polyketide synthase	0.003	0.0034	0.0164
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.0062	0.0521
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.0034	0.0018
Echinococcus granulosus	para nitrobenzyl esterase	0.0641	0.1186	0.1645
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.0009	0.0079
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.003	0.0034
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0641	0.1186	0.1645
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.0034	0.4065
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.0037	0.481
Mycobacterium ulcerans	monoamine oxidase	0.002	0.0016	0.0009
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.0062	0.0404
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0037	0.0315
Echinococcus granulosus	acetylcholinesterase	0.3792	0.713	1
Loa Loa (eye worm)	hypothetical protein	0.2249	0.422	0.5357
Mycobacterium tuberculosis	Possible oxidoreductase	0.002	0.0016	0.0132
Echinococcus multilocularis	carboxylesterase 5A	0.3792	0.713	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0641	0.1186	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0641	0.1186	0.1645
Echinococcus granulosus	acetylcholinesterase	0.3792	0.713	1
Echinococcus granulosus	neuroligin	0.0641	0.1186	0.1645
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Onchocerca volvulus		0.0052	0.0076	0.0514
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0016
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0641	0.1186	0.1645
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0034	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0641	0.1186	0.1502
Brugia malayi	Carboxylesterase family protein	0.0641	0.1186	0.1172
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.1937	0.3632	0.5083
Onchocerca volvulus		0.0641	0.1186	1
Plasmodium vivax	hypothetical protein, conserved	0.002	0.0016	0.5
Plasmodium falciparum	protoporphyrinogen oxidase	0.002	0.0016	0.5
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.0024	0.0083

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0.524 uM	PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	24.3 uM	PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 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)	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 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)	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 for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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: CHEMBL1717774

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1481147