TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 420.332 | Formula: C21H23Cl2N3O2
H donors: 0 H acceptors: 2 LogP: 6.82 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(c1c(CC)nc2n1cccc2OCc1ccc(cc1Cl)Cl)C=O
InChi: 1S/C21H23Cl2N3O2/c1-3-5-10-25(14-27)21-18(4-2)24-20-19(7-6-11-26(20)21)28-13-15-8-9-16(22)12-17(15)23/h6-9,11-12,14H,3-5,10,13H2,1-2H3
InChiKey: OKAWDYFJMMOXPO-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	Polyketide synthase Pks2	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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	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 PpsA	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
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Mycobacterium ulcerans	polyketide synthase Pks9	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 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 PPSD	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	Type I modular polyketide synthase	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 tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsB	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 ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	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 PpsB	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 leprae	Polyketide synthase Pks13	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
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	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 leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	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 parvum	polyketide synthase	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 ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	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 ulcerans	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
Mycobacterium tuberculosis	Probable polyketide beta-ketoacyl synthase Pks3	Get druggable targets OG5_126633	All targets in OG5_126633
Cryptosporidium hominis	hypothetical protein	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 multifunctional mycocerosic acid synthase membrane-associated Mas	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
Neospora caninum	Short-chain dehydrogenase/reductase SDR, related	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	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	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
Mycobacterium tuberculosis	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	Polyketide synthase Pks12	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 leprae	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
Cryptosporidium parvum	type I fatty acid synthase	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	Polyketide synthase Pks13	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 leprae	Probable polyketide synthase Pks1	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 synthase Pks1	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
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	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 tuberculosis	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

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
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0255	0.0248
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0316	0.4865	0.5
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0637	1	1
Schistosoma mansoni	hypothetical protein	0.0169	0.2502	0.2419
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.0287	0.0178
Schistosoma mansoni	hypothetical protein	0.0169	0.2502	0.2419
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.011	0.0104
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.0316	0.0316
Echinococcus multilocularis	GPCR, family 2	0.0019	0.011	0.0104
Onchocerca volvulus		0.0637	1	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.0193	0.0186
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0462	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0533	0.0428
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0165	0.0056
Echinococcus granulosus	geminin	0.0169	0.2502	0.2497
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.0316	0.031
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2403	0.2398
Schistosoma mansoni	single-minded	0.0048	0.058	0.0475
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0316	0.0316
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.0287	0.0287
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0637	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0533	0.0527
Brugia malayi	MH2 domain containing protein	0.0144	0.2113	0.2025
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0462	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0533	0.0527
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.0148	0.01
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0533	0.0527
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.0316	0.0316
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0637	1	1
Brugia malayi	bHLH-PAS transcription factor	0.0036	0.0378	0.0271
Mycobacterium ulcerans	putative regulatory protein	0.0036	0.0378	0.0258
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0637	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0533	0.0527
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.0199	0.0199
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0637	1	1
Schistosoma mansoni	hypothetical protein	0.0041	0.0464	0.0358
Echinococcus granulosus	thymidylate synthase	0.0637	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0255	0.0146
Echinococcus multilocularis	transfer RNA-Lys	0.0036	0.0378	0.0372
Mycobacterium ulcerans	polyketide synthase	0.003	0.0287	0.0165
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.0193	0.007
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0075	0.0068
Echinococcus multilocularis	thymidylate synthase	0.0637	1	1
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.0206	0.0084
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0028	0.0255	0.0255
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0378	0.0372
Schistosoma mansoni	hypothetical protein	0.0036	0.0378	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0614	0.0607
Loa Loa (eye worm)	hypothetical protein	0.006	0.0769	0.0763
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0637	1	1
Onchocerca volvulus		0.0036	0.0378	0.0372
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0316	0.0195
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0287	0.0165
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.0316	0.031
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0637	1	0.5
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.0525	0.0518
Brugia malayi	hypoxia-induced factor 1	0.015	0.2202	0.2115
Trichomonas vaginalis	conserved hypothetical protein	0.0303	0.4655	1
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.0316	0.031
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0637	1	1
Loa Loa (eye worm)	hypoxia-induced factor 1	0.015	0.2202	0.2197
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0769	0.0666
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0769	0.0763
Schistosoma mansoni	aryl hydrocarbon receptor	0.0048	0.058	0.0475
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.0272	0.0272
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.0525	0.0525
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.0287	0.0287
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.2113	0.2108
Toxoplasma gondii	type I fatty acid synthase, putative	0.0032	0.0316	0.0269
Echinococcus granulosus	GPCR family 2	0.0019	0.011	0.0104
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0193	0.007
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.0272	0.0272
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0533	0.0527
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0287	0.0287
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.002	0.0124	0.0117
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.0206	0.0206
Mycobacterium ulcerans	thioesterase	0.0025	0.0206	0.0084
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0165	0.0159
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0287	0.0165
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0637	1	1
Brugia malayi	hypothetical protein	0.0303	0.4655	0.4596
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.0287	0.028
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.0287	0.028
Brugia malayi	hypothetical protein	0.0036	0.0378	0.0271
Brugia malayi	hypothetical protein	0.0162	0.2403	0.2318
Loa Loa (eye worm)	fatty acid synthase	0.003	0.028	0.0274
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0287	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0019	0.011	0.0104
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0316	0.4865	0.48
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.0206	0.02
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.0316	0.0195
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0316	0.4865	0.48
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.2113	0.2108
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0462	1
Echinococcus granulosus	single minded 2	0.0036	0.0378	0.0372
Onchocerca volvulus		0.0052	0.0643	0.0637
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0316	0.4865	0.48
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0533	0.0428
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.0525	0.0406
Loa Loa (eye worm)	acyl carrier protein	0.0014	0.0027	0.002
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0303	0.4655	0.4652
Mycobacterium ulcerans	polyketide synthase	0.0032	0.0316	0.0195
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.011	0.0104
Brugia malayi	PAS domain containing protein	0.0048	0.058	0.0475
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0769	0.0666
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.011	0.0104
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0462	1
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0316	0.4865	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.0079	0.0079
Echinococcus multilocularis	geminin	0.0169	0.2502	0.2497
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0533	0.0428
Entamoeba histolytica	fatty acid elongase, putative	0.0041	0.0462	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0464	0.0358
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.0151	0.0151
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0533	0.0428
Onchocerca volvulus		0.0028	0.0255	0.0248
Loa Loa (eye worm)	thymidylate synthase	0.0637	1	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0378	0.0271
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0287	0.0165
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0316	0.4865	0.4865
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.0525	0.0525
Mycobacterium ulcerans	thymidylate synthase	0.0637	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.011	0.0104
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.0118	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0464	0.0458
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.0717	0.0614
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0378	0.0372
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.011	0.0104
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.0673	0.0667
Mycobacterium tuberculosis	Hypothetical protein	0.0303	0.4655	0.4655

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	6.01 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)	8.19 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)	15.8489 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 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)	20.5962 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)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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: CHEMBL1882032

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1550099