TDR Targets

Basic information

Technical information

TDR Targets ID: 446505
Name: [4-(3,5-dichloropyridin-2-yl)oxyphenyl] N-but ylcarbamate
MW: 355.216 | Formula: C16H16Cl2N2O3
H donors: 1 H acceptors: 2 LogP: 4.8 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNC(=O)Oc1ccc(cc1)Oc1ncc(cc1Cl)Cl
InChi: 1S/C16H16Cl2N2O3/c1-2-3-8-19-16(21)23-13-6-4-12(5-7-13)22-15-14(18)9-11(17)10-20-15/h4-7,9-10H,2-3,8H2,1H3,(H,19,21)
InChiKey: IIEMZQTXNZURFZ-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

[4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] N-butylcarbamate
N-butylcarbamic acid [4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lipase, hormone-sensitive	Starlite/ChEMBL	References
Homo sapiens	butyrylcholinesterase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	hormone sensitive lipase	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Acetylcholinesterase 1 precursor, putative	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	Get druggable targets OG5_132840	All targets in OG5_132840
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Hormone-sensitive lipase, putative	Get druggable targets OG5_132840	All targets in OG5_132840
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Carboxylesterase family protein	butyrylcholinesterase	602 aa	546 aa	30.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.0029	0.0941	1
Brugia malayi	nuclear hormone receptor	0.0011	0.0173	0.0439
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0307	0.0268
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0041	0.0546
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0173	0.0133
Onchocerca volvulus		0.0014	0.0307	0.3777
Echinococcus granulosus	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Entamoeba histolytica	ABC transporter, putative	0.0029	0.0941	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0453	0.6071
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0173	0.1878
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.0029	0.0941	1
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0173	0.0133
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0173	0.0133
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0747	1
Echinococcus granulosus	neuroligin	0.0014	0.0307	0.0268
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0173	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0173	0.0133
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0307	0.0268
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0747	0.7846
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0173	0.0133
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0014	0.0307	0.4117
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.3063	0.3034
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3063	0.3034
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0173	0.0439
Schistosoma mansoni	ABC transporter	0.0025	0.0759	0.0722
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0173	0.0133
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0173	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0173	0.0133
Giardia lamblia	ABC transporter	0.0029	0.0927	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0173	0.0133
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0747	0.7846
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0453	0.6071
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0041	0.0546
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0747	0.7846
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0173	0.0133
Echinococcus multilocularis	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0029	0.0941	0.0904
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0173	0.0133
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0173	0.1878
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0173	0.0133
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0173	0.0133
Onchocerca volvulus		0.0014	0.0307	0.3777
Echinococcus granulosus	acetylcholinesterase	0.0082	0.3063	0.3034
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0041	0.0546
Schistosoma mansoni	hypothetical protein	0.0025	0.0745	0.0708
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0747	0.2337
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0173	0.0439
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0041	0.0546
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0747	0.2337
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0307	0.0268
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0173	0.0133
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0041	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0494	0.0455
Echinococcus granulosus	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0173	0.0439
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0494	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0173	0.0133
Echinococcus multilocularis	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0173	0.0439
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0307	0.0268
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0747	0.7846
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0173	0.0133
Loa Loa (eye worm)	carboxylesterase	0.0082	0.3063	0.3034
Echinococcus multilocularis	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0173	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Trichomonas vaginalis	spcc417.12 protein, putative	0.0014	0.0307	1
Schistosoma mansoni	gliotactin	0.0014	0.0307	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0494	0.0455
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0173	0.0133
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0307	0.4117
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0173	0.0439
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0747	0.7846
Loa Loa (eye worm)	hypothetical protein	0.0253	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0747	0.7846
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0173	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0173	0.0439
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0041	0.0546
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0173	0.0133
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0747	0.7846
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0173	0.0133
Brugia malayi	Carboxylesterase family protein	0.0082	0.3063	1
Brugia malayi	ecdysteroid receptor	0.0011	0.0173	0.0439
Loa Loa (eye worm)	ABC transporter	0.0025	0.0759	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0307	0.0268
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0173	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Echinococcus granulosus	ATP binding cassette sub family G	0.0029	0.0941	0.0904
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0494	0.5038
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.0029	0.0941	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0494	0.6617
Trypanosoma brucei	ATP-binding cassette protein, putative	0.0029	0.0941	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0041	0.0546
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0747	0.7846
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0494	0.5038
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0173	0.0133
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0747	0.7846
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.3063	0.3034
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0494	0.0455
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0307	0.0268
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0173	0.0133
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0307	0.0268
Trypanosoma brucei	ABC transporter, putative	0.0029	0.0941	1
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.3063	0.3034
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0307	0.0268
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.3063	0.3034
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0941	1
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0307	0.0268
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0173	0.0133
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0747	0.7846
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0173	0.0133
Brugia malayi	hypothetical protein	0.0014	0.0307	0.0883
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.3063	0.3034
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0173	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0747	0.7846
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0173	0.1878
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0747	0.7846
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0747	0.0709
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0173	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0173	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0173	0.0439
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0173	0.0439
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0173	0.0439
Echinococcus granulosus	acetylcholinesterase	0.0082	0.3063	0.3034
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0494	0.0455
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0307	0.0268
Onchocerca volvulus		0.0014	0.0307	0.3777
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0173	0.0133
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0307	0.0268
Schistosoma mansoni	coup transcription factor	0.0011	0.0173	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0173	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0747	0.0709
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0173	0.0133
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0494	0.5038
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0173	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0173	0.0439
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.0029	0.0941	1
Brugia malayi	Carboxylesterase family protein	0.0082	0.3063	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0041	0.0546
Brugia malayi	ABC transporter family protein	0.0025	0.0759	0.2378
Brugia malayi	Carboxylesterase family protein	0.0014	0.0307	0.0883
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0307	0.4117
Onchocerca volvulus		0.0011	0.0173	0.1878
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0173	0.0439
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0173	0.0439
Mycobacterium tuberculosis	Probable conserved transmembrane ATP-binding protein ABC transporter	0.0025	0.0745	0.998
Brugia malayi	Carboxylesterase family protein	0.0014	0.0307	0.0883
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0173	0.0133
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0307	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3063	0.3034
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0747	0.7846
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0307	0.0268
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0041	0.0546
Echinococcus multilocularis	neuroligin	0.0014	0.0307	0.0268
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0253	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0747	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0307	0.0268
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0173	0.0133
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0014	0.0307	1
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0173	0.0133
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0747	1
Echinococcus multilocularis	hormone sensitive lipase	0.0253	1	1
Plasmodium vivax	ABC transporter G family member 2, putative	0.0029	0.0941	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0173	0.0133
Onchocerca volvulus		0.0014	0.0307	0.3777
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0173	0.0133
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0173	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0494	0.0455
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0041	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0747	0.0709
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0453	0.6071
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0173	0.0133
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.3063	0.3034
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0747	0.2337
Brugia malayi	Carboxylesterase family protein	0.0014	0.0307	0.0883
Plasmodium falciparum	ABC transporter G family member 2	0.0029	0.0941	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0941	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0307	0.0268
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0041	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Trypanosoma cruzi	ABC transporter, putative	0.0029	0.0941	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0747	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0014	0.0307	0.2963
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0453	0.6071
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0029	0.0941	1
Onchocerca volvulus		0.0014	0.0307	0.3777
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0747	0.7846
Brugia malayi	Carboxylesterase family protein	0.0014	0.0307	0.0883
Brugia malayi	steroid hormone receptor	0.0011	0.0173	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0173	0.0133
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0173	0.0439
Onchocerca volvulus		0.0025	0.0747	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0173	0.0133

Activities

Activity type	Activity value	Assay description	Source	Reference
Cmax (ADMET)	= 43 ng/ml	Cmax in Sprague-Dawley rat at 1.1 mg/kg, iv and 2 mg/kg, po	ChEMBL.	17918819
IC50 (binding)	= 0.35 uM	Inhibition of recombinant human hormone-sensitive lipase	ChEMBL.	17918819
IC50 (binding)	= 0.35 uM	Inhibition of recombinant human hormone-sensitive lipase	ChEMBL.	17918819
IC50 (binding)	= 19 uM	Inhibition of butyrylcholine esterase	ChEMBL.	17918819
IC50 (binding)	= 19 uM	Inhibition of butyrylcholine esterase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of acetylcholine esterase	ChEMBL.	17918819
IC50 (binding)	> 50 uM	Inhibition of acetylcholine esterase	ChEMBL.	17918819

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: CHEMBL241127
PubChem: 23635766

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 446505