TDR Targets

Basic information

Technical information

TDR Targets ID: 227750
Name: [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-p yrrolo[2,3-b]indol-7-yl] N-(2,5-dimethylpheny l)carbamate
MW: 365.469 | Formula: C22H27N3O2
H donors: 1 H acceptors: 1 LogP: 4.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(C)ccc1C)Oc1ccc2c(c1)[C@]1(C)CCN([C@@H]1N2C)C
InChi: 1S/C22H27N3O2/c1-14-6-7-15(2)18(12-14)23-21(26)27-16-8-9-19-17(13-16)22(3)10-11-24(4)20(22)25(19)5/h6-9,12-13,20H,10-11H2,1-5H3,(H,23,26)/t20-,22+/m1/s1
InChiKey: CVZBWJAXPTZWBP-IRLDBZIGSA-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

N-(2,5-dimethylphenyl)carbamic acid [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	butyrylcholinesterase	Starlite/ChEMBL	References
Homo sapiens	acetylcholinesterase (Yt blood group)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Carboxylesterase family protein	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	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	carboxylesterase 5A	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	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	acetylcholinesterase 1	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	acetylcholinesterase	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
Echinococcus granulosus	acetylcholinesterase	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
Echinococcus multilocularis	acetylcholinesterase	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	family S9 non-peptidase homologue (S09 family)	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 %
Brugia malayi	Carboxylesterase family protein	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	opsin-like receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	hypothetical protein	0.005	0.2381	0.2381
Onchocerca volvulus		0.0039	0.1696	0.2013
Echinococcus granulosus	g protein coupled receptor	0.0039	0.1696	0.1454
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0601	0.0668
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0035	0.141	0.131
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Onchocerca volvulus		0.0028	0.091	0.0567
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Mycobacterium tuberculosis	Hypothetical protein	0.005	0.2381	0.3789
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trypanosoma brucei	glucosidase, putative	0.0035	0.141	0.131
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0028	0.091	0.0645
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2371	0.995
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	histamine h1 receptor	0.0039	0.1696	0.1454
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0035	0.141	0.5369
Echinococcus granulosus	tm gpcr rhodopsin	0.0039	0.1696	0.1454
Loa Loa (eye worm)	G-protein coupled receptor	0.0039	0.1696	0.1696
Echinococcus granulosus	orexin receptor type 2	0.0039	0.1696	0.1454
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.141	0.5369
Echinococcus multilocularis	neuropeptides capa receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0039	0.1696	0.1454
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	amine GPCR	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0028	0.091	0.0567
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Echinococcus granulosus	BC026374 protein S09 family	0.0028	0.091	0.0645
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Echinococcus granulosus	dihydrofolate reductase	0.0043	0.1907	0.1671
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0028	0.091	0.0645
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0283	0.0283
Schistosoma mansoni	hypothetical protein	0.0039	0.1696	0.1454
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0039	0.1696	0.1454
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0035	0.141	0.141
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0283	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Trichomonas vaginalis	spcc417.12 protein, putative	0.0028	0.091	0.2988
Onchocerca volvulus		0.0039	0.1696	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0164	1	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.2371	0.2148
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.8885	1
Loa Loa (eye worm)	carboxylesterase	0.0164	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	neuropeptide Y receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	orexin receptor type 2	0.0039	0.1696	0.1454
Trichomonas vaginalis	conserved hypothetical protein	0.005	0.2381	1
Brugia malayi	sulfakinin receptor protein	0.0039	0.1696	0.1696
Brugia malayi	neuropeptide F receptor	0.0039	0.1696	0.1696
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0039	0.1696	0.1454
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0158	0.9642	0.9642
Schistosoma mansoni	lamin	0.0026	0.0813	0.0545
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.2371	0.2148
Schistosoma mansoni	biogenic amine receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	7TM GPCR rhodopsin	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0039	0.1696	0.2013
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0043	0.1907	0.2984
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0601	0.0601
Echinococcus granulosus	para nitrobenzyl esterase	0.0028	0.091	0.0645
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.2371	0.2427
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0039	0.1696	0.1454
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.091	0.1291
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0283	0.0227
Schistosoma mansoni	alpha-glucosidase	0.0136	0.8169	0.8115
Echinococcus multilocularis	neuropeptide receptor	0.0039	0.1696	0.1454
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0813	0.0813
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0028	0.091	0.0645
Brugia malayi	follicle stimulating hormone receptor	0.0039	0.1696	0.1696
Loa Loa (eye worm)	neuropeptide F receptor	0.0039	0.1696	0.1696
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.005	0.2381	0.2439
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0039	0.1696	0.2013
Brugia malayi	Carboxylesterase family protein	0.0028	0.091	0.091
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0039	0.1696	0.1454
Echinococcus multilocularis	allatostatin A receptor	0.0039	0.1696	0.1454
Brugia malayi	Serotonin receptor	0.0039	0.1696	0.1696
Brugia malayi	G-protein coupled receptor	0.0039	0.1696	0.1696
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0035	0.141	0.5369
Echinococcus multilocularis	thymidylate synthase	0.0104	0.6039	0.5924
Echinococcus granulosus	neuroligin	0.0028	0.091	0.0645
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Echinococcus multilocularis	g protein coupled receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Echinococcus granulosus	G protein coupled receptor 139	0.0039	0.1696	0.1454
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	somatostatin receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	carboxylesterase	0.0028	0.091	0.091
Echinococcus granulosus	7tm_1 domain containing protein	0.0039	0.1696	0.1454
Schistosoma mansoni	hypothetical protein	0.0039	0.1696	0.1454
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0601	0.0601
Brugia malayi	Dopamine receptor protein 2	0.0039	0.1696	0.1696
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0028	0.091	0.2988
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0601	0.0601
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	TYRA-2 protein	0.0039	0.1696	0.1696
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0601	0.2826
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0212	0.0212
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2371	0.2427
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0039	0.1696	0.1696
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0601	0.2826
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.2371	0.2148
Schistosoma mansoni	amine GPCR	0.0039	0.1696	0.1454
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0028	0.091	0.0645
Schistosoma mansoni	hypothetical protein	0.0039	0.1696	0.1454
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	neuroligin	0.0028	0.091	0.0645
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Brugia malayi	dihydrofolate reductase family protein	0.0043	0.1907	0.1907
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0039	0.1696	0.1454
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2371	0.995
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2371	0.995
Echinococcus granulosus	acetylcholinesterase	0.0164	1	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0039	0.1696	0.1696
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0601	0.0767
Brugia malayi	Dopamine receptor protein 1	0.0039	0.1696	0.1696
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0039	0.1696	0.1454
Echinococcus granulosus	neuropeptide Y receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	acetylcholinesterase	0.0164	1	1
Leishmania major	alpha glucosidase II subunit, putative	0.0035	0.141	0.131
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.141	0.5369
Onchocerca volvulus		0.0039	0.1696	0.2013
Onchocerca volvulus		0.0039	0.1696	0.2013
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0212	0.0212
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0601	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0039	0.1696	0.1454
Schistosoma mansoni	amine GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	amine GPCR	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Echinococcus granulosus	intermediate filament protein	0.0026	0.0813	0.0545
Schistosoma mansoni	alpha-glucosidase	0.0136	0.8169	0.8115
Mycobacterium ulcerans	carboxylesterase, LipT	0.0028	0.091	0.1197
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.141	0.5369
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0039	0.1696	0.1454
Echinococcus granulosus	neutral alpha glucosidase AB	0.0035	0.141	0.1159
Schistosoma mansoni	neuropeptide receptor	0.0039	0.1696	0.1454
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0039	0.1696	0.1696
Onchocerca volvulus		0.0039	0.1696	0.2013
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0813	0.0813
Echinococcus multilocularis	lamin dm0	0.0026	0.0813	0.0545
Onchocerca volvulus		0.0039	0.1696	0.2013
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0601	0.0668
Echinococcus multilocularis	somatostatin receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	lysosomal alpha glucosidase	0.0158	0.9642	0.9631
Schistosoma mansoni	opsin-like receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0147	0.8885	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	neuropeptide receptor	0.0039	0.1696	0.1454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0601	0.0668
Echinococcus granulosus	neuropeptide s receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.2371	0.2148
Echinococcus granulosus	neuropeptide receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	dihydrofolate reductase	0.0043	0.1907	0.1907
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0601	0.0601
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0601	0.0601
Brugia malayi	Carboxylesterase family protein	0.0028	0.091	0.091
Onchocerca volvulus		0.0028	0.091	0.0567
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0813	0.0545
Echinococcus granulosus	neuropeptides capa receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	growth hormone secretagogue receptor	0.0039	0.1696	0.1454
Brugia malayi	MAP kinase sur-1	0.005	0.2371	0.2371
Loa Loa (eye worm)	acetylcholinesterase 1	0.0164	1	1
Onchocerca volvulus		0.0028	0.091	0.0567
Brugia malayi	Dihydrofolate reductase	0.0043	0.1907	0.1907
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0601	0.037
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.2371	0.2427
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0039	0.1696	0.2013
Echinococcus multilocularis	fmrfamide receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0039	0.1696	0.1454
Echinococcus granulosus	sex peptide receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	g protein coupled receptor	0.0039	0.1696	0.1454
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0028	0.091	0.1291
Schistosoma mansoni	neuropeptide receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0158	0.9642	0.9642
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.091	0.0645
Echinococcus granulosus	serotonin receptor	0.0039	0.1696	0.1454
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0601	0.037
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0781	0.0781
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0039	0.1696	0.1454
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0147	0.8885	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0283	0.0082
Echinococcus multilocularis	sex peptide receptor	0.0039	0.1696	0.1454
Mycobacterium ulcerans	thymidylate synthase	0.0104	0.6039	1
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.141	0.5369
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	amine GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	neuropeptide receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	serotonin receptor	0.0039	0.1696	0.1454
Brugia malayi	Serotonin receptor	0.0039	0.1696	0.1696
Echinococcus granulosus	allatostatin A receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	serotonin receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	biogenic amine 5HT receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	hypothetical protein	0.0039	0.1696	0.1454
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0147	0.8885	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0039	0.1696	0.1696
Echinococcus granulosus	carboxylesterase 5A	0.0164	1	1
Brugia malayi	RE15519p	0.0039	0.1696	0.1696
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0039	0.1696	0.1454
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0039	0.1696	0.1454
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.141	0.131
Loa Loa (eye worm)	carboxylesterase	0.0028	0.091	0.091
Brugia malayi	intermediate filament protein	0.0026	0.0813	0.0813
Loa Loa (eye worm)	G-protein coupled receptor	0.0039	0.1696	0.1696
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	thymidylate synthase	0.0104	0.6039	0.5924
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	gliotactin	0.0028	0.091	0.0645
Echinococcus granulosus	tm gpcr rhodopsin	0.0039	0.1696	0.1454
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0039	0.1696	0.1696
Schistosoma mansoni	opsin-like receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Onchocerca volvulus		0.0104	0.6039	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0212	0.0212
Echinococcus granulosus	tm gpcr rhodopsin	0.0039	0.1696	0.1454
Echinococcus multilocularis	fmrfamide receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	neuropeptide F receptor	0.0039	0.1696	0.1696
Chlamydia trachomatis	dihydrofolate reductase	0.0043	0.1907	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0028	0.091	0.0645
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	lamin	0.0026	0.0813	0.0545
Echinococcus multilocularis	g-protein coupled receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.141	0.5369
Schistosoma mansoni	alpha glucosidase	0.0035	0.141	0.1159
Brugia malayi	Dopamine receptor	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0104	0.6039	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2371	0.995
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0601	0.0601
Schistosoma mansoni	biogenic amine receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0039	0.1696	0.1696
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0039	0.1696	0.1454
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0104	0.6039	0.5924
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.141	0.131
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0039	0.1696	0.1454
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0039	0.1696	0.1696
Onchocerca volvulus		0.0039	0.1696	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	AKH receptor	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	dihydrofolate reductase	0.0043	0.1907	0.1671
Echinococcus multilocularis	neuropeptide receptor A26	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	g protein coupled receptor	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0026	0.0813	0.0389
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0039	0.1696	0.1696
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0028	0.091	0.1291
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0043	0.1907	0.2401
Loa Loa (eye worm)	hypothetical protein	0.0164	1	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Trichomonas vaginalis	alpha-glucosidase, putative	0.0035	0.141	0.5369
Onchocerca volvulus		0.0026	0.0813	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0212	0.0212
Echinococcus granulosus	hypothetical protein	0.0039	0.1696	0.1454
Echinococcus multilocularis	g protein coupled receptor	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0039	0.1696	0.2013
Brugia malayi	Carboxylesterase family protein	0.0164	1	1
Loa Loa (eye worm)	thymidylate synthase	0.0104	0.6039	0.6039
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0601	0.2826
Schistosoma mansoni	neuropeptide F-like receptor	0.0039	0.1696	0.1454
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0147	0.8885	1
Onchocerca volvulus		0.0039	0.1696	0.2013
Echinococcus multilocularis	lamin	0.0026	0.0813	0.0545
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0039	0.1696	0.1454
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0164	1	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0039	0.1696	0.1454
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2371	0.2427
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.9642	0.9631
Echinococcus granulosus	biogenic amine 5HT receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0813	0.0813
Echinococcus granulosus	dro:myosuppressin receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	G protein coupled receptor 139	0.0039	0.1696	0.1454
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0283	0.0082
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0283	0.0122
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Echinococcus granulosus	neuropeptide receptor A26	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0039	0.1696	0.2013
Loa Loa (eye worm)	melatonin receptor type 1A	0.0039	0.1696	0.1696
Echinococcus granulosus	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0039	0.1696	0.1696
Onchocerca volvulus		0.0039	0.1696	0.2013
Onchocerca volvulus		0.0039	0.1696	0.2013
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.091	0.0645
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0039	0.1696	0.1454
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	dihydrofolate reductase	0.0043	0.1907	0.1671
Schistosoma mansoni	adenoreceptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	neuropeptide F receptor	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Echinococcus multilocularis	neuropeptide receptor	0.0039	0.1696	0.1454
Brugia malayi	larval opioid receptor	0.0039	0.1696	0.1696
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	g-protein coupled receptor	0.0039	0.1696	0.1454
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0601	0.037
Schistosoma mansoni	neuropeptide F-like receptor	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0092	0.5181	0.8421
Brugia malayi	G protein-coupled receptor F59B2.13	0.0039	0.1696	0.1696
Echinococcus multilocularis	g protein coupled receptor	0.0039	0.1696	0.1454
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.2371	0.2371
Brugia malayi	hypothetical protein	0.0028	0.091	0.091
Brugia malayi	putative neuropeptide receptor	0.0039	0.1696	0.1696
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0283	0.0283
Echinococcus multilocularis	neuropeptide Y receptor	0.0039	0.1696	0.1454
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0601	0.0668
Onchocerca volvulus		0.0039	0.1696	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0035	0.141	0.1159
Brugia malayi	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus granulosus	neuropeptide Y receptor	0.0039	0.1696	0.1454
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0043	0.1907	0.2909
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.2371	0.2427
Brugia malayi	Carboxylesterase family protein	0.0028	0.091	0.091
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	G-protein coupled receptor	0.0039	0.1696	0.1696
Echinococcus multilocularis	carboxylesterase 5A	0.0164	1	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0039	0.1696	0.1454
Echinococcus multilocularis	para nitrobenzyl esterase	0.0028	0.091	0.0645
Echinococcus granulosus	neuropeptides capa receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0039	0.1696	0.1454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0601	0.0668
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0601	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0813	0.0813
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0039	0.1696	0.1454
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.2371	0.2427
Schistosoma mansoni	acetylcholinesterase	0.0028	0.091	0.0645
Echinococcus granulosus	neuropeptide FF receptor 2	0.0039	0.1696	0.1454
Brugia malayi	thymidylate synthase	0.0104	0.6039	0.6039
Echinococcus granulosus	lamin dm0	0.0026	0.0813	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0039	0.1696	0.1696
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0212	0.0212
Brugia malayi	Carboxylesterase family protein	0.0028	0.091	0.091
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0104	0.6039	1
Brugia malayi	G protein-coupled receptor	0.0039	0.1696	0.1696
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0035	0.141	0.5369
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0039	0.1696	0.1454
Trypanosoma brucei	protein kinase, putative	0.005	0.2371	0.2427
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	ORL1-like opioid receptor	0.0039	0.1696	0.1696
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.141	1
Schistosoma mansoni	biogenic amine receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	neuropeptide receptor	0.0039	0.1696	0.1454
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.2371	0.2427
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Schistosoma mansoni	lamin	0.0026	0.0813	0.0545
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0039	0.1696	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0039	0.1696	0.1696
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0035	0.141	0.141
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	acetylcholinesterase	0.0164	1	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0028	0.091	0.0567
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.2371	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0039	0.1696	0.1454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0601	0.0668
Echinococcus multilocularis	acetylcholinesterase	0.0164	1	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0283	0.5
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0147	0.8885	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Brugia malayi	Melatonin receptor type 1A	0.0039	0.1696	0.1696
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.2371	0.2427
Onchocerca volvulus		0.0039	0.1696	0.2013
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.2371	0.2148
Echinococcus granulosus	fmrfamide receptor	0.0039	0.1696	0.1454
Onchocerca volvulus		0.0039	0.1696	0.2013
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0035	0.141	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0039	0.1696	0.1454
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0158	0.9642	0.9631
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	neuropeptides capa receptor	0.0039	0.1696	0.1454
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0039	0.1696	0.1454
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0028	0.091	0.0645
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0039	0.1696	0.1454
Loa Loa (eye worm)	hypothetical protein	0.0028	0.091	0.091
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0212	0.0107
Brugia malayi	GnHR receptor homolog	0.0039	0.1696	0.1696
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0601	0.0767
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1696	0.1696
Echinococcus multilocularis	neuropeptide s receptor	0.0039	0.1696	0.1454
Schistosoma mansoni	myosin xvIII	0.0039	0.1696	0.1454
Echinococcus multilocularis	musashi	0.0026	0.0813	0.0545

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 26 nM	In vitro inhibition of human erythrocyte acetylcholinesterase.	ChEMBL.	11708910
IC50 (binding)	= 26 nM	In vitro inhibition of human erythrocyte acetylcholinesterase.	ChEMBL.	11708910
IC50 (binding)	= 26 nM	Inhibition of human AChE by Ellmans test	ChEMBL.	20684567
IC50 (binding)	= 490 nM	In vitro inhibition of human plasma butrylcholinesterase.	ChEMBL.	11708910
IC50 (binding)	= 490 nM	In vitro inhibition of human plasma butrylcholinesterase.	ChEMBL.	11708910
logIC50 (binding)	= 1.415	Inhibition of human AChE by Ellmans test	ChEMBL.	20684567

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: CHEMBL337675
PubChem: 13006040

Bibliographic References

2 literature references were collected for this gene.

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

Detailed information for compound 227750