TDR Targets

Basic information

Technical information

TDR Targets ID: 76249
Name: 9-(benzylamino)-6-chloro-1,2,3,4-tetrahydroac ridin-1-ol
MW: 338.831 | Formula: C20H19ClN2O
H donors: 2 H acceptors: 2 LogP: 4.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc2c(c1)nc1c(c2NCc2ccccc2)C(O)CCC1
InChi: 1S/C20H19ClN2O/c21-14-9-10-15-17(11-14)23-16-7-4-8-18(24)19(16)20(15)22-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,18,24H,4,7-8,12H2,(H,22,23)
InChiKey: UFBJNPUZMUQXFV-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

6-chloro-9-(phenylmethylamino)-1,2,3,4-tetrahydroacridin-1-ol
104628-21-9
1-Acridinol, 1,2,3,4-tetrahydro-6-chloro-9-((phenylmethyl)amino)-
6-Chloro-9-((phenylmethyl)amino)-1,2,3,4-tetrahydro-1-acridinol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Acetylcholinesterase	Starlite/ChEMBL	References
Rattus norvegicus	Serotonin transporter	Starlite/ChEMBL	References
Rattus norvegicus	Norepinephrine transporter	Starlite/ChEMBL	References
Rattus norvegicus	Dopamine transporter	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	ko:K05336 solute carrier family 6 (neurotransmitter transporter), invertebrate, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	serotonin transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	solute carrier family 6 member 4	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	carboxylesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Treponema pallidum	sodium- and chloride- dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	carboxylesterase 5A	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	serotonin transporter b	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Loa Loa (eye worm)	acetylcholinesterase 1	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	sodium/chloride dependent transporter	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	ko:K01049 acetylcholinesterase [EC3.1.1.7], putative	Get druggable targets OG5_126875	All targets in OG5_126875
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus granulosus	acetylcholinesterase	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
Brugia malayi	Sodium:neurotransmitter symporter family protein	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma japonicum	Sodium-dependent dopamine transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Onchocerca volvulus		Get druggable targets OG5_128364	All targets in OG5_128364
Brugia malayi	Carboxylesterase family protein	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	Sodium-dependent noradrenaline transporter, putative	Get druggable targets OG5_128364	All targets in OG5_128364
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Schistosoma japonicum	IPR000175,Sodium:neurotransmitter symporter,domain-containing	Get druggable targets OG5_128364	All targets in OG5_128364
Schistosoma mansoni	norepinephrine/norepinephrine transporter	Get druggable targets OG5_128364	All targets in OG5_128364

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	534 aa	41.0 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	632 aa	25.6 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	579 aa	35.1 %
Schistosoma japonicum	ko:K05042 solute carrier family 6 (neurotransmitter transporter, glycine),, putative	Norepinephrine transporter	597 aa	501 aa	39.7 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	554 aa	38.6 %
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	Norepinephrine transporter	597 aa	549 aa	41.9 %
Echinococcus multilocularis	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.0 %
Brugia malayi	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	581 aa	34.6 %
Onchocerca volvulus	Transmembrane protein 120 homolog	Norepinephrine transporter	597 aa	577 aa	34.0 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	508 aa	32.7 %
Schistosoma mansoni	sodium/chloride dependent transporter	Norepinephrine transporter	597 aa	529 aa	41.6 %
Echinococcus multilocularis	neuroligin	Acetylcholinesterase	614 aa	496 aa	24.0 %
Neospora caninum	sodium-dependent transporter, putative	Norepinephrine transporter	597 aa	507 aa	30.4 %
Echinococcus granulosus	BC026374 protein S09 family	Acetylcholinesterase	614 aa	642 aa	34.1 %
Plasmodium knowlesi	transporter, putative	Serotonin transporter	630 aa	514 aa	20.2 %
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	522 aa	22.0 %
Plasmodium yoelii	hypothetical protein	Norepinephrine transporter	597 aa	478 aa	19.7 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	507 aa	26.4 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	507 aa	38.9 %
Echinococcus granulosus	sodium and chloride dependent glycine	Norepinephrine transporter	597 aa	529 aa	42.5 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	574 aa	24.0 %
Onchocerca volvulus	Molybdopterin synthase catalytic subunit homolog	Acetylcholinesterase	614 aa	564 aa	29.8 %
Loa Loa (eye worm)	hypothetical protein	Acetylcholinesterase	614 aa	570 aa	25.4 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	583 aa	30.7 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	540 aa	46.3 %
Plasmodium vivax	amine transporter, putative	Norepinephrine transporter	597 aa	483 aa	21.1 %
Brugia malayi	Carboxylesterase family protein	Acetylcholinesterase	614 aa	573 aa	30.5 %
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	Norepinephrine transporter	597 aa	595 aa	34.0 %
Onchocerca volvulus	High affinity copper uptake protein 1 homolog	Norepinephrine transporter	597 aa	551 aa	47.4 %
Onchocerca volvulus		Acetylcholinesterase	614 aa	581 aa	27.0 %
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	Acetylcholinesterase	614 aa	602 aa	24.3 %
Drosophila melanogaster	CG10175 gene product from transcript CG10175-RE	Acetylcholinesterase	614 aa	547 aa	32.5 %
Onchocerca volvulus	Putative nuclear protein	Acetylcholinesterase	614 aa	577 aa	40.7 %
Plasmodium vivax	hypothetical protein, conserved	Serotonin transporter	630 aa	528 aa	21.2 %
Drosophila melanogaster	CG13796 gene product from transcript CG13796-RD	Norepinephrine transporter	597 aa	569 aa	24.8 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	570 aa	38.6 %
Schistosoma japonicum	ko:K05046 solute carrier family 6 (neurotransmitter transporter, GABA), member, putative	Norepinephrine transporter	597 aa	545 aa	41.7 %
Drosophila melanogaster	CG1698 gene product from transcript CG1698-RA	Norepinephrine transporter	597 aa	513 aa	38.4 %
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	Norepinephrine transporter	597 aa	579 aa	22.1 %
Loa Loa (eye worm)	hypothetical protein	Norepinephrine transporter	597 aa	551 aa	25.0 %
Onchocerca volvulus	Carnitine O-palmitoyltransferase 2, mitochondrial homolog	Acetylcholinesterase	614 aa	531 aa	39.7 %
Echinococcus multilocularis	BC026374 protein (S09 family)	Acetylcholinesterase	614 aa	642 aa	34.0 %
Onchocerca volvulus		Norepinephrine transporter	597 aa	548 aa	24.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium falciparum	heat shock protein 90, putative	0.0163	0.2111	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0286	0.0344
Onchocerca volvulus		0.0048	0.0459	0.116
Treponema pallidum	sodium- and chloride- dependent transporter	0.0292	0.3955	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.0583
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0459	0.4047
Toxoplasma gondii	heat shock protein 75, putative	0.0017	0.0024	0.0092
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0459	0.0552
Brugia malayi	steroid hormone receptor	0.0033	0.0252	0.0303
Plasmodium vivax	heat shock protein 90, putative	0.0017	0.0024	0.0092
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0484	0.0484
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0016	0.0005	0.0005
Brugia malayi	exodeoxyribonuclease III family protein	0.0038	0.0318	0.0382
Schistosoma mansoni	jun-related protein	0.007	0.0783	0.0783
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0033	0.0252	0.0252
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Plasmodium falciparum	transporter, putative	0.005	0.0484	0.2276
Brugia malayi	hypothetical protein	0.0018	0.0027	0.0032
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.1097	0.1097
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.005	0.0484	0.0484
Echinococcus granulosus	lamin dm0	0.0032	0.0233	0.0233
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0134	0.0615
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0233	0.0233
Onchocerca volvulus		0.0032	0.0233	0.0589
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0484	0.0484
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0038	0.0318	0.0746
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.005	0.0484	0.0484
Brugia malayi	Protein kinase domain containing protein	0.0092	0.1097	0.132
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Schistosoma mansoni	hypothetical protein	0.005	0.0486	0.0486
Schistosoma mansoni	hypothetical protein	0.005	0.0486	0.0486
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0018	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.0048	0.0463	0.0463
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0033	0.0252	0.0252
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0459	0.4152
Brugia malayi	hypothetical protein	0.0068	0.0749	0.0902
Echinococcus granulosus	survival motor neuron protein 1	0.0236	0.3149	0.3149
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0459	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0134	0.0162
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0087	0.1016	0.1016
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0134	0.0615
Mycobacterium ulcerans	hypothetical protein	0.0048	0.0459	1
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0947	0.0947
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0033	0.0252	0.0252
Schistosoma mansoni	sodium-dependent amino acid transporter	0.005	0.0484	0.0484
Onchocerca volvulus	Protein ultraspiracle homolog	0.0033	0.0252	0.0638
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.2276
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0033	0.0252	0.0303
Leishmania major	heat shock protein, putative	0.0017	0.0024	0.0177
Toxoplasma gondii	hypothetical protein	0.005	0.0484	0.2276
Brugia malayi	Steroid receptor seven-up type 2	0.0033	0.0252	0.0303
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0033	0.0252	0.0303
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0252	0.0252
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0048	0.0459	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0038	0.0318	0.0318
Schistosoma mansoni	hypothetical protein	0.005	0.0486	0.0486
Echinococcus multilocularis	serotonin transporter	0.0292	0.3955	0.3955
Schistosoma mansoni	hypothetical protein	0.0061	0.0654	0.0654
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0027	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0947	0.1139
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.002	0.0024
Toxoplasma gondii	exonuclease III APE	0.0038	0.0318	0.1484
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.005	0.0486	0.0486
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0292	0.3955	0.4759
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0157	0.2022	0.2433
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.2276
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.005	0.0486	0.0486
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0017	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0459	0.0552
Brugia malayi	hypothetical protein	0.005	0.0484	0.0583
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0038	0.0318	0.0318
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0092	0.1097	0.132
Entamoeba histolytica	acyl-coA synthetase, putative	0.0048	0.0459	0.4047
Onchocerca volvulus		0.0048	0.0463	0.1171
Schistosoma mansoni	lamin	0.0032	0.0233	0.0233
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.0947	0.0947
Brugia malayi	cytoplasmic intermediate filament protein	0.0017	0.002	0.0024
Brugia malayi	hypothetical protein	0.0236	0.3149	0.3789
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0484	0.0484
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0252	0.0252
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0033	0.0252	0.0303
Schistosoma mansoni	ap endonuclease	0.0038	0.0318	0.0318
Toxoplasma gondii	Hsp90 domain-containing protein	0.0163	0.2111	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0033	0.0252	0.0252
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0459	1
Plasmodium falciparum	amino acid transporter, putative	0.005	0.0484	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0033	0.0252	0.0303
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.0947	0.0947
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0033	0.0252	0.0303
Entamoeba histolytica	hypothetical protein	0.0092	0.1097	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0033	0.0252	0.0303
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0318	0.1484
Brugia malayi	nuclear receptor NHR-88	0.0033	0.0252	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0134	0.1185
Schistosoma mansoni	retinoic acid receptor RXR	0.0033	0.0252	0.0252
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0292	0.3955	0.4759
Echinococcus multilocularis	isocitrate dehydrogenase	0.0016	0.0005	0.0005
Loa Loa (eye worm)	latrophilin receptor protein 2	0.005	0.0486	0.0585
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0018	0.0027	0.0027
Schistosoma mansoni	hypothetical protein	0.005	0.0486	0.0486
Echinococcus multilocularis	FTZ F1 alpha	0.0033	0.0252	0.0252
Schistosoma mansoni	sodium/chloride dependent transporter	0.0292	0.3955	0.3955
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0033	0.0252	0.0303
Echinococcus multilocularis	ecdysone induced protein 78C	0.0033	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Loa Loa (eye worm)	serotonin transporter b	0.0292	0.3955	0.4759
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0252	0.0303
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0033	0.0252	0.0303
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0484	0.0484
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0033	0.0252	0.0638
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0038	0.0318	0.1484
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.0947	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0033	0.0252	0.0252
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.2276
Echinococcus granulosus	jun protein	0.0087	0.1016	0.1016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0033	0.0252	0.0303
Brugia malayi	Latrophilin receptor protein 2	0.005	0.0486	0.0585
Onchocerca volvulus		0.0033	0.0252	0.0638
Echinococcus granulosus	intermediate filament protein	0.0032	0.0233	0.0233
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0252	0.0252
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0033	0.0252	0.0252
Echinococcus multilocularis	microtubule associated protein 2	0.0714	1	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0017	0.0024	0.0177
Brugia malayi	nuclear hormone receptor	0.0033	0.0252	0.0303
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0033	0.0252	0.0252
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0087	0.1016	0.1016
Loa Loa (eye worm)	hypothetical protein	0.0092	0.109	0.1312
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0484	0.0484
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0017	0.0024	0.0425
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.005	0.0484	0.0484
Plasmodium vivax	hypothetical protein, conserved	0.005	0.0484	0.2276
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0459	0.0552
Brugia malayi	Nuclear hormone receptor-like 1	0.0033	0.0252	0.0303
Entamoeba histolytica	protein kinase, putative	0.0092	0.1097	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.1097	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.0583
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0947	0.0947
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0484	0.0484
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0017	0.0024	0.0061
Trypanosoma brucei	heat shock protein 84, putative	0.0017	0.0024	0.0177
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0258	0.5574
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0048	0.0459	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0027	0.0032
Mycobacterium ulcerans	acyl-CoA synthetase	0.0048	0.0459	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.005	0.0484	0.0484
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0048	0.0459	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.005	0.0484	0.0484
Schistosoma mansoni	sodium/chloride dependent transporter	0.005	0.0491	0.0491
Echinococcus multilocularis	GPCR, family 2	0.005	0.0486	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2022	0.2433
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0033	0.0252	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1311	0.1578
Leishmania major	hypothetical protein, conserved	0.0025	0.0134	0.1185
Brugia malayi	isocitrate dehydrogenase	0.0016	0.0005	0.0006
Brugia malayi	bZIP transcription factor family protein	0.0087	0.1016	0.1222
Echinococcus multilocularis	dual specificity	0.0092	0.1097	0.1097
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0484	0.0484
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0258	0.5574
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3955	0.4759
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.005	0.0484	0.0484
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0459	0.4152
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0484	0.0484
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0018	0.0027	0.0027
Brugia malayi	latrophilin 2 splice variant baaae	0.0107	0.1311	0.1578
Schistosoma mansoni	nuclear hormone receptor	0.0033	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0032
Plasmodium vivax	heat shock protein, putative	0.0163	0.2111	1
Brugia malayi	hypothetical protein	0.0025	0.0134	0.0162
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0286	0.0344
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0258	0.5574
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0033	0.0252	0.0252
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0033	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0596	0.831	1
Trypanosoma cruzi	heat shock protein, putative	0.0017	0.0024	0.0177
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0048	0.0459	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0233	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0032
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.0583
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0092	0.1097	1
Brugia malayi	hypothetical protein	0.0018	0.0027	0.0032
Echinococcus multilocularis	survival motor neuron protein 1	0.0236	0.3149	0.3149
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0252	0.0303
Echinococcus multilocularis	geminin	0.0348	0.4755	0.4755
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0017	0.0024	0.0024
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0233	0.0281
Echinococcus multilocularis	endoplasmin	0.0017	0.0024	0.0024
Schistosoma mansoni	hypothetical protein	0.0348	0.4755	0.4755
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0032
Echinococcus granulosus	geminin	0.0348	0.4755	0.4755
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0459	0.0552
Brugia malayi	ecdysteroid receptor	0.0033	0.0252	0.0303
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Loa Loa (eye worm)	heat shock protein 75	0.0017	0.0024	0.0029
Echinococcus multilocularis	jun protein	0.0087	0.1016	0.1016
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0982	0.1181
Brugia malayi	intermediate filament protein	0.0032	0.0233	0.0281
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0134	0.1185
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0036	0.0286	0.6189
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0038	0.0318	0.2861
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0027	0.0032
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0038	0.0318	0.2733
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0286	0.0344
Brugia malayi	hypothetical protein	0.0016	0.0007	0.0008
Schistosoma mansoni	hypothetical protein	0.0348	0.4755	0.4755
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Schistosoma mansoni	microtubule-associated protein tau	0.0714	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.0236	0.3149	0.3789
Schistosoma mansoni	hypothetical protein	0.007	0.0783	0.0783
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0484	0.0484
Leishmania major	4-coumarate:coa ligase-like protein	0.0048	0.0459	0.4152
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.005	0.0486	0.0486
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0033	0.0252	0.0252
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0033	0.0252	0.0252
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.005	0.0484	0.0484
Loa Loa (eye worm)	steroid hormone receptor	0.0033	0.0252	0.0303
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0134	0.0615
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0233	0.0281
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0038	0.0318	0.2861
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0048	0.0459	0.4047
Toxoplasma gondii	hypothetical protein	0.005	0.0484	0.2276
Onchocerca volvulus	Bile acid receptor homolog	0.0033	0.0252	0.0638
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0252	0.0303
Echinococcus granulosus	serotonin transporter	0.0292	0.3955	0.3955
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0016	0.0005	0.0005
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0048	0.0459	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0018	0.0027	0.0027
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0033	0.0252	0.0252
Schistosoma mansoni	ap endonuclease	0.0038	0.0318	0.0318
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0034	0.0258	0.5574
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.005	0.0486	0.0585
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0033	0.0252	0.0252
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0463	0.0463
Brugia malayi	Isocitrate dehydrogenase	0.0016	0.0005	0.0006
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0033	0.0252	0.0252
Echinococcus granulosus	sodium and chloride dependent glycine	0.005	0.0484	0.0484
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0033	0.0252	0.0252
Onchocerca volvulus		0.0292	0.3955	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0134	0.1185
Loa Loa (eye worm)	norepinephrine transporter	0.0292	0.3955	0.4759
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0459	0.0552
Loa Loa (eye worm)	hypothetical protein	0.0092	0.109	0.1312
Onchocerca volvulus		0.0032	0.0233	0.0589
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0033	0.0252	0.0303
Echinococcus granulosus	GPCR family 2	0.005	0.0486	0.0486
Schistosoma mansoni	heat shock protein	0.0017	0.0024	0.0024
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0033	0.0252	0.0303
Entamoeba histolytica	protein kinase, putative	0.0092	0.1097	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0292	0.3955	0.3955
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.005	0.0484	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0016	0.0005	0.0005
Echinococcus granulosus	dual specificity	0.0092	0.1097	0.1097
Onchocerca volvulus		0.005	0.0484	0.1225
Brugia malayi	Hsp90 protein	0.0017	0.0024	0.0029
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.005	0.0486	0.0486
Echinococcus multilocularis	lamin	0.0032	0.0233	0.0233
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0033	0.0252	0.0303
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0318	0.2861
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0463	0.0557
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0157	0.2022	0.2433
Echinococcus granulosus	lamin	0.0032	0.0233	0.0233
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0033	0.0252	0.0252
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0016	0.0005	0.0006
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0036	0.0286	0.602
Schistosoma mansoni	coup transcription factor	0.0033	0.0252	0.0252
Echinococcus granulosus	endoplasmin	0.0017	0.0024	0.0024
Schistosoma mansoni	lamin	0.0032	0.0233	0.0233
Plasmodium vivax	amine transporter, putative	0.005	0.0484	0.2276
Brugia malayi	nuclear receptor RXR	0.0018	0.0027	0.0032
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0033	0.0252	0.0252
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0038	0.0318	0.0382
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Onchocerca volvulus		0.005	0.0484	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0225	0.027
Brugia malayi	Carboxylesterase family protein	0.0082	0.0947	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3955	0.4759
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0048	0.0459	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0486	0.0585
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.005	0.0484	0.0484
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.005	0.0484	0.0583
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0134	0.0615
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0033	0.0252	0.0252
Trichomonas vaginalis	ap endonuclease, putative	0.0038	0.0318	1
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.0947	0.0947
Schistosoma mansoni	thyroid hormone receptor	0.0033	0.0252	0.0252
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.005	0.0484	0.0484
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0033	0.0252	0.0252
Echinococcus granulosus	acetylcholinesterase	0.0082	0.0947	0.0947
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0038	0.0318	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0459	0.0552
Plasmodium vivax	acyl-CoA synthetase, putative	0.0036	0.0286	0.1333
Onchocerca volvulus		0.005	0.0484	0.1225
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0157	0.2022	0.2433
Loa Loa (eye worm)	hypothetical protein	0.005	0.0484	0.0583
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0947	0.1139
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0038	0.0318	0.689
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0033	0.0252	0.0252
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.005	0.0484	0.0583
Echinococcus granulosus	ecdysone induced protein 78C	0.0033	0.0252	0.0252
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0233	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.1097	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0038	0.0318	1
Brugia malayi	small heat shock protein	0.0596	0.831	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0048	0.0459	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0286	0.0344
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0033	0.0252	0.0303
Echinococcus granulosus	FTZ F1 alpha	0.0033	0.0252	0.0252
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0048	0.0459	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0038	0.0318	0.2861
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Plasmodium falciparum	acyl-CoA synthetase	0.0036	0.0286	0.1333
Loa Loa (eye worm)	carboxylesterase	0.0082	0.0947	0.1139
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0252	0.0303
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0033	0.0252	0.0303
Brugia malayi	Carboxylesterase family protein	0.0082	0.0947	0.1139
Echinococcus multilocularis	lamin dm0	0.0032	0.0233	0.0233
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0033	0.0252	0.0303
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0038	0.0318	0.6752
Echinococcus multilocularis	musashi	0.0032	0.0233	0.0233
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.005	0.0484	0.0484
Onchocerca volvulus		0.0068	0.0749	0.1895
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.0947	0.1139
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0092	0.1097	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0033	0.0252	0.0303
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0018	0.0027	0.0032
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0033	0.0252	0.0303
Entamoeba histolytica	protein kinase domain containing protein	0.0092	0.1097	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0286	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3955	0.4759
Schistosoma mansoni	hypothetical protein	0.0107	0.1311	0.1311

Activities

Activity type	Activity value	Assay description	Source	Reference
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 0.16 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 0 %	Reversal of scopolamine-induced memory impairment in mice at 5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 0.63 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 1.25 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 7 %	Reversal of scopolamine-induced memory impairment in mice at 2.5 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 13 %	Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously.	ChEMBL.	2754707
Animals (functional)	= 13 %	Reversal of scopolamine-induced memory impairment in mice at 0.31 mg/Kg administered subcutaneously.	ChEMBL.	2754707
IC50 (functional)	= 0.82 uM	Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar	ChEMBL.	2754707
IC50 (functional)	= 0.82 uM	Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar	ChEMBL.	2754707
IC50 (binding)	= 1.3 uM	In vitro inhibition against acetylcholinesterase in rat striata.	ChEMBL.	2754707
IC50 (functional)	= 1.3 uM	Inhibition of the reuptake of dopamine in rat corpora striata.	ChEMBL.	2754707
IC50 (binding)	= 1.3 uM	In vitro inhibition against acetylcholinesterase in rat striata.	ChEMBL.	2754707
IC50 (functional)	= 1.3 uM	Inhibition of the reuptake of dopamine in rat corpora striata.	ChEMBL.	2754707
IC50 (functional)	= 15 uM	Inhibition of serotonin reuptake in rat whole brains without cerebellum	ChEMBL.	2754707
IC50 (functional)	= 15 uM	Inhibition of serotonin reuptake in rat whole brains without cerebellum	ChEMBL.	2754707
LD50 (ADMET)	> 80 mg kg-1	Toxicity evaluated in rats after intraperitoneal administration.	ChEMBL.	2754707

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: CHEMBL51063
PubChem: 3025611

Bibliographic References

1 literature reference was 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 76249