TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 483.482 | Formula: C26H24F3N3O3
H donors: 0 H acceptors: 2 LogP: 6.66 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CN(c1c(CC)nc2n1cccc2OCc1ccc(cc1)C(F)(F)F)C=O
InChi: 1S/C26H24F3N3O3/c1-3-22-25(31(17-33)15-18-8-12-21(34-2)13-9-18)32-14-4-5-23(24(32)30-22)35-16-19-6-10-20(11-7-19)26(27,28)29/h4-14,17H,3,15-16H2,1-2H3
InChiKey: CEBMPPYIGYNXKK-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	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	fatty acid synthase	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	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
Cryptosporidium hominis	hypothetical protein	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 tuberculosis	Probable polyketide synthase Pks15	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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	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 ulcerans	Type I modular polyketide synthase	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 tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsE	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
Cryptosporidium hominis	hypothetical protein	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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	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
Neospora caninum	Short-chain dehydrogenase/reductase SDR, related	Get druggable targets OG5_126633	All targets in OG5_126633
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Toxoplasma gondii	type I fatty acid synthase, putative	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 tuberculosis	Probable polyketide synthase Pks1	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
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	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	Polyketide synthase Pks13	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
Loa Loa (eye worm)	hypothetical protein	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	polyketide synthase	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	polyketide synthase	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 tuberculosis	Probable polyketide synthase Pks5	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 PpsC	Get druggable targets OG5_126633	All targets in OG5_126633
Onchocerca volvulus		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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	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 tuberculosis	Polyketide synthase Pks2	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
Loa Loa (eye worm)	acyl carrier protein	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 leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	Get druggable targets OG5_126633	All targets in OG5_126633
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
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	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
Neospora caninum	Soraphen polyketide synthase A, related	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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	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
Neospora caninum	KR domain domain-containing protein, putative	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 tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	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
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	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 tuberculosis	Probable polyketide synthase Pks8	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

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.0225	0.6337
Echinococcus multilocularis	acetylcholinesterase	0.1008	1	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0207	0.1282
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.017	0.1611	0.1608
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.0225	0.1398
Loa Loa (eye worm)	fatty acid synthase	0.003	0.0203	0.0199
Schistosoma mansoni	acetylcholinesterase	0.017	0.1611	0.1608
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0096	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0074	0.007
Brugia malayi	Carboxylesterase family protein	0.017	0.1611	0.1608
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.012	0.3708
Schistosoma mansoni	hypothetical protein	0.0019	0.0096	0.0092
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.0225	0.1398
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.017	0.1611	0.1608
Echinococcus granulosus	acetylcholinesterase	0.1008	1	1
Loa Loa (eye worm)	carboxylesterase	0.1008	1	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.017	0.1611	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.0207	0.581
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.002	0.0105	0.0649
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0187	0.0183
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.002	0.0105	0.2941
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0096	0.0092
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.0207	0.1282
Brugia malayi	Carboxylesterase family protein	0.017	0.1611	0.1608
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.0225	1
Onchocerca volvulus		0.017	0.1611	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0012	0.0027	0.0169
Echinococcus multilocularis	neuroligin	0.017	0.1611	0.1608
Schistosoma mansoni	hypothetical protein	0.0019	0.0096	0.0092
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0096	0.0092
Onchocerca volvulus		0.0052	0.043	0.1705
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.135	0.1346
Mycobacterium ulcerans	polyketide synthase	0.0032	0.0225	0.1398
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.0207	0.0203
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.0187	0.1159
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.0225	0.1398
Schistosoma mansoni	hypothetical protein	0.0041	0.0318	0.0314
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0225	0.1398
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.0156	0.4398
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0509	0.0505
Schistosoma mansoni	hypothetical protein	0.0019	0.0096	0.0092
Loa Loa (eye worm)	hypothetical protein	0.006	0.0509	0.0505
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.0148	0.0917
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.017	0.1611	0.5
Brugia malayi	Carboxylesterase family protein	0.017	0.1611	0.1608
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0148	0.0917
Echinococcus granulosus	BC026374 protein S09 family	0.017	0.1611	0.1608
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0207	0.1282
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.0197	0.1225
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0096	0.0092
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0509	0.0505
Loa Loa (eye worm)	acetylcholinesterase 1	0.1008	1	1
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0225	0.1398
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.017	0.1611	0.1608
Loa Loa (eye worm)	acyl carrier protein	0.0014	0.0044	0.004
Onchocerca volvulus		0.017	0.1611	1
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.0448	0.1836
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.0356	0.2207
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0187	0.0183
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.0356	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0207	0.1282
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.0148	0.4155
Loa Loa (eye worm)	carboxylesterase	0.017	0.1611	0.1608
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0096	0.0092
Loa Loa (eye worm)	carboxylesterase	0.017	0.1611	0.1608
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0509	0.0505
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.0122	0.0756
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Onchocerca volvulus		0.017	0.1611	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.135	0.1346
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.0156	0.0971
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0318	0.0314
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.017	0.1611	0.1608
Echinococcus multilocularis	acetylcholinesterase	0.1008	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.017	0.1611	1
Brugia malayi	Carboxylesterase family protein	0.1008	1	1
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0476	0.0473
Schistosoma mansoni	BC026374 protein (S09 family)	0.017	0.1611	0.1608
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.0207	0.1282
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0096	0.0092
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.001	0.0009	0.0055
Echinococcus multilocularis	BC026374 protein (S09 family)	0.017	0.1611	0.1608
Schistosoma mansoni	gliotactin	0.017	0.1611	0.1608
Mycobacterium ulcerans	polyketide synthase Pks9	0.002	0.0105	0.0649
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.0356	0.2207
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.0156	0.0971
Echinococcus multilocularis	para nitrobenzyl esterase	0.017	0.1611	0.1608
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0096	0.0092
Loa Loa (eye worm)	hypothetical protein	0.1008	1	1
Brugia malayi	MH2 domain containing protein	0.0144	0.135	0.1346
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.0152	0.0942
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1008	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.017	0.1611	1
Echinococcus granulosus	para nitrobenzyl esterase	0.017	0.1611	0.1608
Mycobacterium ulcerans	carboxylesterase, LipT	0.017	0.1611	1
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.0356	0.2207
Mycobacterium ulcerans	polyketide synthase	0.003	0.0207	0.1282
Echinococcus granulosus	neuroligin	0.017	0.1611	0.1608
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.0197	0.1225
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0207	0.1282
Trichomonas vaginalis	spcc417.12 protein, putative	0.017	0.1611	0.5
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.0225	0.6337
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.0101	0.2574
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.0207	0.581
Echinococcus granulosus	acetylcholinesterase	0.1008	1	1
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.0225	0.6337
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0318	0.0314
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Echinococcus multilocularis	carboxylesterase 5A	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Loa Loa (eye worm)	hypothetical protein	0.017	0.1611	0.1608
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.017	0.1611	0.1608
Echinococcus granulosus	carboxylesterase 5A	0.1008	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0096	0.0092
Brugia malayi	hypothetical protein	0.017	0.1611	0.1608
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.0077	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0411	0.0408
Schistosoma mansoni	hypothetical protein	0.0019	0.0096	0.0092
Brugia malayi	Carboxylesterase family protein	0.017	0.1611	0.1608
Schistosoma mansoni	neuroligin 3 (S09 family)	0.017	0.1611	0.1608
Onchocerca volvulus		0.017	0.1611	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0207	0.1282
Onchocerca volvulus		0.017	0.1611	1
Mycobacterium ulcerans	thioesterase	0.0025	0.0156	0.0971
Echinococcus granulosus	GPCR family 2	0.0019	0.0096	0.0092
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0096	0.0092

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	9.2 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)	9.21 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 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)	28.1838 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 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)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1891873

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1587437