TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 291.347 | Formula: C18H17N3O
H donors: 1 H acceptors: 2 LogP: 1.46 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCn1cc2C(O)CN=c2c2c1cc(cc2)c1ccncc1
InChi: 1S/C18H17N3O/c1-2-21-11-15-17(22)10-20-18(15)14-4-3-13(9-16(14)21)12-5-7-19-8-6-12/h3-9,11,17,22H,2,10H2,1H3
InChiKey: QVBFUPWFRCXJHR-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0136	0.3341
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0438
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0295	0.0583
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0295	0.0583
Loa Loa (eye worm)	MBCTL1	0.0062	0.074	0.1704
Schistosoma mansoni	acetyl-CoA synthetase	0.0008	0.0051	0.0051
Entamoeba histolytica	recQ family helicase, putative	0.0015	0.0136	0.4054
Trypanosoma cruzi	FAD dependent oxidoreductase, putative	0.0028	0.0306	1
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0055	0.0644	0.2507
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0008	0.0051	0.0037
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0295	0.0583
Trichomonas vaginalis	DNA helicase recq1, putative	0.0028	0.0299	0.0732
Brugia malayi	cDNA sequence BC016226	0.0028	0.0306	0.0698
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Brugia malayi	mbt repeat family protein	0.0055	0.0644	0.1621
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0028	0.0306	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0295	0.0666
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0059	0.0085
Loa Loa (eye worm)	oxidoreductase	0.0008	0.0051	0.0066
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0295	0.9543
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0062	0.074	0.0706
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0207	0.0445
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0193	0.0408
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0051	0.0058
Echinococcus granulosus	FAD dependent oxidoreductase domain containing protein	0.0028	0.0306	0.027
Leishmania major	hypothetical protein, conserved	0.0028	0.0306	1
Toxoplasma gondii	FAD-dependent glycerol-3-phosphate dehydrogenase	0.0028	0.0306	0.4747
Toxoplasma gondii	hypothetical protein	0.0028	0.0306	0.4747
Echinococcus granulosus	dnaJ subfamily B	0.0398	0.499	0.4971
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0306	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0295	0.0672
Onchocerca volvulus	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial homolog	0.0028	0.0306	0.108
Leishmania major	glycerol-3-phosphate dehydrogenase-like protein	0.0028	0.0306	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0295	0.9592
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Echinococcus multilocularis	glycerol 3 phosphate dehydrogenase	0.0028	0.0306	0.027
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0306	0.0673
Brugia malayi	mbt repeat family protein	0.0055	0.0644	0.1621
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0295	0.0583
Echinococcus granulosus	glycerol 3 phosphate dehydrogenase	0.0028	0.0306	0.027
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0295	0.0646
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0051	0.0037
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0011	0.0094	0.0057
Echinococcus granulosus	histone acetyltransferase MYST2	0.0062	0.074	0.0706
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0008	0.0051	0.0014
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0295	0.9543
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0028	0.0306	0.0611
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0094	0.0117
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0062	0.074	0.0706
Echinococcus multilocularis	dnaJ subfamily B	0.0398	0.499	0.4971
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Schistosoma mansoni	ATP:guanidino kinase (Smc74)	0.0028	0.0306	0.0306
Treponema pallidum	ATP-dependent DNA helicase	0.0006	0.0023	0.5
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1709	0.4006
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Echinococcus multilocularis	microtubule associated protein 2	0.0793	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0438
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Chlamydia trachomatis	D-amino acid dehydrogenase	0.0028	0.0306	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0306	0.0673
Trypanosoma brucei	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0306	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0303	0.069
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0008	0.0051	0.0037
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0295	0.9543
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0306	0.0306
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0029	0.00000000016167
Onchocerca volvulus	Glucosylceramidase homolog	0.0195	0.2417	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0295	0.0583
Entamoeba histolytica	recQ family DNA helicase	0.0006	0.0023	0.0098
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Schistosoma mansoni	cpg binding protein	0.003	0.0323	0.0323
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0024	0.0256	0.8051
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0051	0.0066
Loa Loa (eye worm)	glycerol-3-phosphate dehydrogenase	0.0028	0.0306	0.0673
Schistosoma mansoni	sex comb on midleg homolog	0.0055	0.0644	0.0644
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0051	0.0066
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0008	0.0051	0.0066
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Mycobacterium leprae	Probable cholesterol oxidase precursor ChoD (cholesterol-O2 oxidoreductase)	0.0028	0.0306	0.0611
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0008	0.0051	0.0466
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0011	0.0094	0.0057
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0008	0.0051	0.0037
Giardia lamblia	Glycerol-3-phosphate dehydrogenase	0.0028	0.0306	1
Onchocerca volvulus	Putative fad oxidoreductase	0.0028	0.0306	0.108
Entamoeba histolytica	anaerobic glycerol-3-phosphate dehydrogenase subunit A, putative	0.0028	0.0306	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0295	0.0646
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0438
Plasmodium vivax	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0306	1
Schistosoma mansoni	glycerol-3-phosphate dehydrogenase	0.0028	0.0306	0.0306
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0055	0.0644	0.0609
Loa Loa (eye worm)	mbt repeat family protein	0.0055	0.0644	0.1476
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0008	0.0051	0.107
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), mitochondrial	0.0028	0.0306	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0062	0.074	0.0706
Trichomonas vaginalis	DNA helicase recq, putative	0.0015	0.0136	0.029
Schistosoma mansoni	NAD dehydrogenase	0.0028	0.0306	0.0306
Schistosoma mansoni	sex comb on midleg homolog	0.0055	0.0644	0.0644
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0295	0.0666
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.002	0.0207	0.0375
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0008	0.0051	0.107
Mycobacterium ulcerans	thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0306	0.0611
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0008	0.0051	0.0982
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0062	0.074	0.1884
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0216	0.2687	0.266
Schistosoma mansoni	DNA helicase recq1	0.0011	0.0094	0.0094
Leishmania major	hypothetical protein, conserved	0.0028	0.0306	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0207	0.6542
Schistosoma mansoni	blooms syndrome DNA helicase	0.0022	0.0225	0.0225
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase GlpD2	0.0028	0.0306	0.0611
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.255	0.6847
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0011	0.0094	0.0057
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0094	0.1185
Loa Loa (eye worm)	hypothetical protein	0.0062	0.074	0.1704
Schistosoma mansoni	fad oxidoreductase	0.0028	0.0306	0.0306
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0008	0.0051	0.0037
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0216	0.2687	0.266
Loa Loa (eye worm)	RecQ helicase	0.0028	0.0299	0.0656
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0094	0.0117
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0136	0.3995
Trypanosoma brucei	FAD dependent oxidoreductase, putative	0.0028	0.0306	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0295	0.0583
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0008	0.0051	0.0982
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Schistosoma mansoni	cpg binding protein	0.0028	0.0303	0.0303
Trypanosoma brucei	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0306	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0008	0.0051	0.0037
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0193	0.0408
Mycobacterium ulcerans	D-amino acid oxidase Aao	0.0338	0.4232	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0062	0.074	0.074
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0295	0.0583
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0295	0.9592
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0303	0.0666
Echinococcus multilocularis	cpg binding protein	0.003	0.0323	0.0287
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0011	0.0094	0.1185
Schistosoma mansoni	cpg binding protein	0.003	0.0323	0.0323
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0011	0.0094	0.0168
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Plasmodium falciparum	FAD-dependent glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0306	1
Onchocerca volvulus		0.0055	0.0644	0.2507
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0008	0.0051	0.0982
Toxoplasma gondii	propionate-CoA ligase	0.0008	0.0051	0.0466
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0015	0.0136	0.3341
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase, putative	0.0028	0.0306	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0051	0.0037
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0051	0.0037
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0008	0.0051	0.0037
Brugia malayi	RE18450p	0.0028	0.0306	0.0698
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0008	0.0051	0.0466
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0008	0.0051	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0051	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0306	0.0673
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0438
Mycobacterium leprae	PROBABLE D-AMINO ACID OXIDASE AAO	0.0338	0.4232	1
Echinococcus multilocularis	polycomb protein SCMH1	0.0055	0.0644	0.0609
Echinococcus multilocularis	bloom syndrome protein	0.0028	0.0299	0.0263
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0297	0.3711	1
Mycobacterium leprae	Possible thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0306	0.0611
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0297	0.3711	0.8761
Mycobacterium ulcerans	glycerol-3-phosphate dehydrogenase	0.0028	0.0306	0.0611
Echinococcus granulosus	polycomb protein SCMH1	0.0055	0.0644	0.0609
Brugia malayi	dimethylglycine dehydrogenase, mitochondrial precursor, putative	0.0028	0.0306	0.0698
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0018	0.0183	0.2681
Onchocerca volvulus	Dimethylglycine dehydrogenase, mitochondrial homolog	0.0028	0.0306	0.108
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0008	0.0051	0.0014
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0207	0.6128
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0011	0.0094	0.168
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0295	0.0666
Loa Loa (eye worm)	hypothetical protein	0.002	0.0207	0.0438
Schistosoma mansoni	d-amino acid oxidase	0.0338	0.4232	0.4232
Trichomonas vaginalis	antibiotic synthetase, putative	0.0008	0.0051	0.0058
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.062	1
Echinococcus multilocularis	FAD dependent oxidoreductase domain containing protein	0.0028	0.0306	0.027
Onchocerca volvulus		0.0027	0.0295	0.1031
Trypanosoma cruzi	glycerol-3-phosphate dehydrogenase (FAD-dependent), putative	0.0028	0.0306	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0028	0.0299	0.0732
Echinococcus granulosus	cpg binding protein	0.003	0.0323	0.0287
Trypanosoma brucei	electron transfer flavoprotein-ubiquinone oxidoreductase, putative	0.0028	0.0306	1
Mycobacterium tuberculosis	Possible thiamine biosynthesis oxidoreductase ThiO	0.0028	0.0306	0.0703
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0022
Brugia malayi	Bloom's syndrome protein homolog	0.0028	0.0299	0.0678
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0055	0.0644	0.0644
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0037	0.0037
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0008	0.0051	0.0982
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0094	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0644	0.1476
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.07	0.07
Trichomonas vaginalis	glucosylceramidase, putative	0.0297	0.3711	1
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0306	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0055	0.0644	0.0609
Trypanosoma cruzi	L-2-hydroxyglutarate dehydrogenase, mitochondrial, putative	0.0028	0.0306	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0019	0.0186	0.5787
Loa Loa (eye worm)	hypothetical protein	0.0338	0.4232	1
Mycobacterium tuberculosis	Probable D-amino acid oxidase Aao	0.031	0.3875	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0195	0.2417	0.6486
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0008	0.0051	0.0037
Schistosoma mansoni	DNA helicase recq5	0.0011	0.0094	0.0094
Schistosoma mansoni	microtubule-associated protein tau	0.0793	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0295	0.9592
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 20	0.0028	0.0306	1
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0011	0.0094	0.0057
Schistosoma mansoni	hypothetical protein	0.0333	0.4173	0.4173
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0295	0.0583
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0057	0.0018
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0295	0.0672
Brugia malayi	pyruvate dehydrogenase phosphatase regulatory subunit precursor	0.0028	0.0306	0.0698
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0029	0.00000000016167
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0295	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0295	0.0646
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0193	0.0408
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0029	0.00000000016167
Onchocerca volvulus		0.0028	0.0303	0.1067
Schistosoma mansoni	hypothetical protein	0.0398	0.499	0.499
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.255	0.6847
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.0193	0.0408
Schistosoma mansoni	blooms syndrome DNA helicase	0.0006	0.0023	0.0023
Echinococcus granulosus	bloom syndrome protein	0.0028	0.0299	0.0263
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0295	0.0583

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	NA 0 ug ml-1	In vitro anti-herpetic activity of the compound against HSV-2 plaque formation in vero cells; no activity	ChEMBL.	7629793
MTL (functional)	= 100 ug ml-1	The compound was tested in vitro for the highest concentration(maximum tolerated level) that showed no cellular toxicity by visualization of stained cells.	ChEMBL.	7629793

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 139585