TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 517.04 | Formula: C25H29ClN4O4S
H donors: 1 H acceptors: 4 LogP: 4.17 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CSCCC(C(=O)N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
InChi: 1S/C25H29ClN4O4S/c1-35-17-11-22(27-24(31)20-9-10-21(26)23(18-20)30(33)34)25(32)29-15-13-28(14-16-29)12-5-8-19-6-3-2-4-7-19/h2-10,18,22H,11-17H2,1H3,(H,27,31)/b8-5+
InChiKey: MWIWPZQFRCAXLJ-VMPITWQZSA-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	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	fatty acid synthase	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium ulcerans	polyketide synthase Pks9	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 Pks7	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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	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
Mycobacterium tuberculosis	Polyketide synthase Pks2	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
Onchocerca volvulus		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
Neospora caninum	Short-chain dehydrogenase/reductase SDR, related	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	Polyketide synthase Pks13	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	Probable polyketide synthase Pks8	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
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 ulcerans	Type I modular 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
Cryptosporidium parvum	type I fatty acid 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
Neospora caninum	Soraphen polyketide synthase A, related	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 PPSD	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 beta-ketoacyl synthase Pks3	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	Type I modular polyketide 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 leprae	Probable polyketide synthase Pks1	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
Loa Loa (eye worm)	acyl carrier 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
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	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	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 PpsB	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 synthase Pks9	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 ulcerans	polyketide synthase Pks13	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	Probable polyketide synthase Pks1	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
Neospora caninum	KR domain domain-containing protein, putative	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
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 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 leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme 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
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	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	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	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
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 tuberculosis	Polyketide synthase Pks12	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	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
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
Trichomonas vaginalis	flap endonuclease-1, putative	0.0073	0.2579	0.2223
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0058	0.1976	0.1856
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0032	0.0897	0.385
Echinococcus multilocularis	histone deacetylase 6	0.0208	0.818	0.8112
Schistosoma mansoni	hypothetical protein	0.0205	0.8037	0.7963
Echinococcus multilocularis	DNA repair protein complementing XP G cells	0.0073	0.2579	0.2299
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0252	1	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.064	0.0191
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0032	0.0897	0.386
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.064	0.2743
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0371	0.1597
Giardia lamblia	Histone deacetylase	0.0252	1	1
Echinococcus granulosus	flap endonuclease GEN 1	0.0021	0.0458	0.0097
Plasmodium vivax	histone deacetylase 2, putative	0.0208	0.818	0.8173
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0032	0.0897	0.6214
Schistosoma mansoni	histone deacetylase	0.0252	1	1
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0029	0.0781	0.3353
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0252	1	1
Echinococcus granulosus	histone deacetylase 6	0.0208	0.818	0.8112
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0364	0.0362
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.003	0.0819	0.5671
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.23	0.2009
Mycobacterium ulcerans	polyketide synthase	0.0032	0.0897	0.386
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.064	0.2754
Loa Loa (eye worm)	histone deacetylase 7A	0.0208	0.818	0.8153
Schistosoma mansoni	hypothetical protein	0.0041	0.1278	0.0949
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0458	0.0314
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0032	0.0897	0.6214
Schistosoma mansoni	histone deacetylase 1 2 3	0.0208	0.818	0.8112
Echinococcus multilocularis	flap endonuclease GEN 1	0.0021	0.0458	0.0097
Brugia malayi	histone deacetylase 11	0.0208	0.818	0.818
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0328	0.1397
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0066	0.2323	0.1954
Loa Loa (eye worm)	hypothetical protein	0.0252	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0101	0.006
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0458	0.0215
Trypanosoma brucei	histone deacetylase 4	0.0208	0.818	0.8093
Trypanosoma brucei	RNA helicase, putative	0.0207	0.8138	0.8048
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.064	0.2754
Plasmodium falciparum	histone deacetylase, putative	0.0208	0.818	0.8173
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0066	0.2323	1
Leishmania major	histone deacetylase, putative	0.0252	1	1
Trypanosoma brucei	histone deacetylase 2	0.0208	0.818	0.8093
Loa Loa (eye worm)	cytochrome P450 family protein	0.0028	0.075	0.0611
Toxoplasma gondii	type I fatty acid synthase, putative	0.0033	0.094	0.071
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0819	0.3528
Echinococcus granulosus	histone deacetylase 8	0.0208	0.818	0.8112
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0025	0.0593	0.2541
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.064	0.0191
Brugia malayi	XPG I-region family protein	0.0021	0.0458	0.0456
Leishmania major	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0011	0.0014	0.0045
Plasmodium falciparum	exonuclease I, putative	0.0021	0.0458	0.0418
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0252	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0036	0.105	0.4512
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0208	0.818	1
Plasmodium falciparum	flap endonuclease 1	0.0063	0.2185	0.2153
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0765	0.0322
Plasmodium vivax	flap endonuclease 1, putative	0.0063	0.2185	0.2153
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0045	0.1434	0.6168
Toxoplasma gondii	histone deacetylase HDAC1	0.0208	0.818	0.8134
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.064	0.0191
Toxoplasma gondii	histone deacetylase HDAC4	0.0208	0.818	0.8134
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0819	0.3517
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.002	0.0398	0.2706
Echinococcus granulosus	geminin	0.0205	0.8037	0.7963
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0029	0.0781	0.3353
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0011	0.0014	0.0012
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0066	0.2323	0.2321
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0032	0.0897	0.6214
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.003	0.0819	0.3517
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.0226
Echinococcus multilocularis	histone deacetylase 8	0.0208	0.818	0.8112
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0013	0.0101	0.006
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0012	0.0079	0.0325
Toxoplasma gondii	type I fatty acid synthase, putative	0.0021	0.0461	0.0219
Toxoplasma gondii	histone deacetylase HDAC5	0.0208	0.818	0.8134
Onchocerca volvulus	Fatty acid synthase homolog	0.0054	0.1817	0.1863
Loa Loa (eye worm)	histone deacetylase 3	0.0252	1	1
Mycobacterium ulcerans	thioesterase	0.0025	0.0612	0.2635
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0273	0.0127
Mycobacterium ulcerans	thioesterase TesA	0.0025	0.0612	0.2635
Loa Loa (eye worm)	histone deacetylase 1	0.0252	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.064	0.2754
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.003	0.0819	0.5671
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0328	0.1397
Schistosoma mansoni	flap endonuclease-1	0.0053	0.1769	0.1458
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0066	0.23	0.2009
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2579	0.2467
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.0819	0.3517
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2065	0.2064
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0011	0.0014	0.0061
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.064	0.0638
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0364	0.0219
Schistosoma mansoni	histone deacetylase hda2	0.0208	0.818	0.8112
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0032	0.0897	0.385
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family member	0.0021	0.0458	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0026	0.064	0.0499
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.064	0.2754
Plasmodium falciparum	histone deacetylase 1	0.0252	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.0226
Schistosoma mansoni	aldehyde dehydrogenase	0.0066	0.23	0.2009
Trypanosoma cruzi	histone deacetylase 1, putative	0.0252	1	1
Mycobacterium ulcerans	hypothetical protein	0.0026	0.064	0.2754
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0458	0.0215
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0011	0.0014	0.0045
Loa Loa (eye worm)	histone deacetylase 11	0.0208	0.818	0.8153
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.064	0.4406
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0371	0.0331
Echinococcus multilocularis	histone deacetylase 7	0.0208	0.818	0.8112
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1708	0.1583
Loa Loa (eye worm)	flap endonuclease-1	0.0063	0.2185	0.2068
Trypanosoma brucei	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0011	0.0014	0.0061
Trichomonas vaginalis	flap endonuclease-1, putative	0.0063	0.2185	0.1811
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.064	0.2754
Loa Loa (eye worm)	histone deacetylase	0.0208	0.818	0.8153
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0024	0.0576	0.2482
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.002	0.0398	0.1715
Plasmodium vivax	exonuclease I, putative	0.0021	0.0458	0.0418
Brugia malayi	Histone deacetylase family protein	0.0208	0.818	0.818
Echinococcus granulosus	histone deacetylase 6	0.0208	0.818	0.8112
Entamoeba histolytica	Flap nuclease, putative	0.0063	0.2185	0.1811
Schistosoma mansoni	hypothetical protein	0.0205	0.8037	0.7963
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0371	0.1584
Echinococcus multilocularis	exonuclease 1	0.0021	0.0458	0.0097
Brugia malayi	Histone deacetylase family protein	0.0208	0.818	0.818
Brugia malayi	Histone deacetylase 1	0.0252	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0036	0.105	0.1048
Loa Loa (eye worm)	fatty acid synthase	0.003	0.0803	0.0665
Entamoeba histolytica	DNA-repair protein, putative	0.0073	0.2579	0.2223
Echinococcus multilocularis	histone deacetylase 3	0.0252	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.064	0.0638
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0025	0.0612	0.4211
Echinococcus granulosus	histone deacetylase 7	0.0208	0.818	0.8112
Echinococcus granulosus	histone deacetylase	0.0208	0.818	0.8112
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0066	0.2323	0.2033
Schistosoma mansoni	histone deacetylase	0.0252	1	1
Mycobacterium ulcerans	polyketide synthase Pks9	0.002	0.0398	0.1715
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0063	0.2185	0.1987
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.003	0.0819	0.3528
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0011	0.0014	0.0061
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.003	0.0819	0.0818
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1278	0.1147
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0045	0.1434	0.6168
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0063	0.2185	0.1811
Mycobacterium leprae	Polyketide synthase Pks13	0.0045	0.1434	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.064	0.2754
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.064	0.4406
Schistosoma mansoni	exonuclease	0.0021	0.0458	0.0097
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0897	0.385
Loa Loa (eye worm)	XPG I-region family protein	0.0021	0.0458	0.0314
Brugia malayi	histone deacetylase 1 (HD1)	0.0252	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0066	0.23	0.1931
Onchocerca volvulus		0.0026	0.064	0.0357
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.064	0.0191
Echinococcus granulosus	histone deacetylase 6	0.0208	0.818	0.8112
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0032	0.0897	0.386
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0063	0.2185	0.1811
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.0226
Echinococcus granulosus	exonuclease 1	0.0021	0.0458	0.0097
Plasmodium vivax	DNA repair protein RAD2, putative	0.0073	0.2579	0.2548
Schistosoma mansoni	histone deacetylase hda2	0.0208	0.818	0.8112
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0066	0.2323	1
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1278	0.1276
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0022	0.0469	0.2008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0328	0.1397
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0066	0.2323	1
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0024	0.0576	0.396
Echinococcus multilocularis	geminin	0.0205	0.8037	0.7963
Loa Loa (eye worm)	hypothetical protein	0.0208	0.818	0.8153
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.23	0.9902
Plasmodium vivax	histone deacetylase, putative	0.0208	0.818	0.8173
Schistosoma mansoni	xp-G/rad2 DNA repair endonuclease family	0.0073	0.2579	0.2299
Onchocerca volvulus		0.006	0.2052	0.2163
Toxoplasma gondii	histone deacetylase HDAC2	0.0252	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.064	0.0191
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2065	0.1946
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0066	0.23	0.9902
Trypanosoma brucei	histone deacetylase 1	0.0252	1	1
Brugia malayi	Cytochrome P450 family protein	0.0028	0.075	0.0748
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Echinococcus multilocularis	histone deacetylase 1	0.0252	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0364	0.0362
Leishmania major	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0024	0.0576	0.2482
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.064	0.2743
Echinococcus granulosus	DNA repair protein complementing XP G cells	0.0073	0.2579	0.2299
Loa Loa (eye worm)	hypothetical protein	0.0026	0.064	0.0499
Schistosoma mansoni	histone deacetylase 4 5	0.0208	0.818	0.8112
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.002	0.0383	0.0138
Entamoeba histolytica	histone deacetylase, putative	0.0252	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2065	0.2064
Echinococcus multilocularis	histone deacetylase 6	0.0208	0.818	0.8112
Plasmodium vivax	histone deacetylase, putative	0.0208	0.818	0.8173
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.23	0.9902
Giardia lamblia	Flap structure-specific endonuclease	0.0063	0.2185	0.1811
Trypanosoma cruzi	histone deacetylase, putative	0.0208	0.818	0.8093
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0819	0.3528
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.064	0.0638
Plasmodium vivax	histone deacetylase 1, putative	0.0252	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.2065	0.1946
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0017	0.0283	0.1205
Mycobacterium ulcerans	polyketide synthase Pks13	0.0045	0.1434	0.6174
Toxoplasma gondii	aldehyde dehydrogenase	0.0066	0.23	0.2104
Trypanosoma brucei	histone deacetylase 3	0.0208	0.818	0.8093
Plasmodium falciparum	histone deacetylase 2	0.0208	0.818	0.8173
Toxoplasma gondii	histone deacetylase HDAC3	0.0252	1	1
Echinococcus granulosus	flap endonuclease 1	0.0063	0.2185	0.189
Loa Loa (eye worm)	hypothetical protein	0.0026	0.064	0.0499
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0328	0.1397
Echinococcus multilocularis	histone deacetylase 6	0.0208	0.818	0.8112
Leishmania major	histone deacetylase, putative	0.0252	1	1
Mycobacterium ulcerans	polyketide synthase	0.003	0.0819	0.3528
Brugia malayi	Flap endonuclease-1	0.0063	0.2185	0.2184
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0066	0.23	0.9902
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0057	0.1932	0.1931
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0021	0.0458	0.0215
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0036	0.105	0.0916
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0371	0.0331
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.0226
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0011	0.0014	0.0061
Echinococcus granulosus	histone deacetylase 3	0.0252	1	1
Plasmodium falciparum	DNA repair protein RAD2, putative	0.0073	0.2579	0.2548
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0066	0.2323	0.2033
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Echinococcus granulosus	histone deacetylase 1	0.0252	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0066	0.23	0.2009
Schistosoma mansoni	histone deacetylase 4 5	0.0208	0.818	0.8112
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0025	0.0612	0.2624
Schistosoma mansoni	hypothetical protein	0.0207	0.8138	0.8067
Trypanosoma cruzi	histone deacetylase 1, putative	0.0252	1	1
Onchocerca volvulus		0.0036	0.105	0.0882
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0011	0.0014	0.0045
Mycobacterium ulcerans	Type I modular polyketide synthase	0.003	0.0819	0.3528
Mycobacterium ulcerans	acyl-CoA synthetase	0.0011	0.0014	0.0061
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.064	0.2754
Toxoplasma gondii	XPG N-terminal domain-containing protein	0.0073	0.2579	0.239
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0066	0.2323	0.2033
Trichomonas vaginalis	histone deacetylase, putative	0.0252	1	1
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0063	0.2185	0.1811
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0011	0.0014	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0364	0.0219
Schistosoma mansoni	hypothetical protein	0.0053	0.1749	0.1437
Echinococcus multilocularis	flap endonuclease 1	0.0063	0.2185	0.189
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0371	0.5
Echinococcus multilocularis	histone deacetylase	0.0208	0.818	0.8112
Brugia malayi	XPG N-terminal domain containing protein	0.0061	0.2114	0.2113

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	6.62 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
IC50 (functional)	8.52 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
Potency (functional)	2.0787 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)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.7865 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)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	35.4813 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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1713807

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1482062