TDR Targets

Basic information

Technical information

TDR Targets ID: 230966
Name: 8-fluoro-1,2,3,4-tetrahydroacridin-9-amine
MW: 216.254 | Formula: C13H13FN2
H donors: 1 H acceptors: 1 LogP: 2.84 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc2c1c(N)c1c(n2)CCCC1
InChi: 1S/C13H13FN2/c14-9-5-3-7-11-12(9)13(15)8-4-1-2-6-10(8)16-11/h3,5,7H,1-2,4,6H2,(H2,15,16)
InChiKey: PADRKJUJDBXCPM-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

(8-fluoro-1,2,3,4-tetrahydroacridin-9-yl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
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
Echinococcus granulosus	carboxylesterase 5A	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
Loa Loa (eye worm)	hypothetical protein	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
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	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
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:K01049 acetylcholinesterase [EC3.1.1.7], putative	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
Echinococcus granulosus	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus multilocularis	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
Echinococcus multilocularis	acetylcholinesterase	Get druggable targets OG5_126875	All targets in OG5_126875
Echinococcus granulosus	acetylcholinesterase	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	acetylcholinesterase (Yt blood group)	614 aa	510 aa	26.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	Sgs1 DNA helicase, putative	0.0019	0.0277	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0014	0.0117	0.0569
Trypanosoma cruzi	Emopamil binding protein, putative	0.0135	0.3563	0.3563
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0117	0.0569
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2049	1
Echinococcus granulosus	neuroligin	0.0014	0.0117	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0277	0.0277
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2049	0.2049
Entamoeba histolytica	recQ family helicase, putative	0.0019	0.0277	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0019	0.0277	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Brugia malayi	Carboxylesterase family protein	0.0014	0.0117	0.0117
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0014	0.0117	0.0569
Plasmodium vivax	perforin-like protein 4	0.0034	0.0688	1
Echinococcus multilocularis	bloom syndrome protein	0.0019	0.0277	0.1351
Mycobacterium ulcerans	carboxylesterase, LipT	0.0014	0.0117	0.5
Toxoplasma gondii	MAC/Perforin domain-containing protein	0.0034	0.0688	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.2049	0.2049
Onchocerca volvulus		0.0014	0.0117	0.0327
Brugia malayi	Carboxylesterase family protein	0.0014	0.0117	0.0117
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0117	0.0569
Echinococcus granulosus	carboxylesterase 5A	0.0082	0.2049	1
Onchocerca volvulus		0.0014	0.0117	0.0327
Trichomonas vaginalis	spcc417.12 protein, putative	0.0014	0.0117	0.4214
Leishmania major	hypothetical protein, conserved	0.0135	0.3563	0.3563
Plasmodium vivax	perforin-like protein 1	0.0034	0.0688	1
Plasmodium falciparum	perforin-like protein 5	0.0034	0.0688	1
Brugia malayi	Bloom's syndrome protein homolog	0.0019	0.0277	0.0277
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0014	0.0117	0.4214
Onchocerca volvulus		0.0014	0.0117	0.0327
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0014	0.0117	0.0569
Echinococcus granulosus	bloom syndrome protein	0.0019	0.0277	0.1351
Plasmodium falciparum	perforin-like protein 2	0.0034	0.0688	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.4976	0.4976
Brugia malayi	hypothetical protein	0.0014	0.0117	0.0117
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0019	0.0277	0.1351
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Echinococcus multilocularis	macrophage expressed protein	0.0034	0.0688	0.3357
Brugia malayi	Carboxylesterase family protein	0.0014	0.0117	0.0117
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2049	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0362	1	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0014	0.0117	0.5
Plasmodium vivax	perforin-like protein 2	0.0034	0.0688	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0019	0.0277	0.4025
Onchocerca volvulus		0.0014	0.0117	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.0006	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0362	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0277	0.4025
Leishmania major	C-8 sterol isomerase-like protein	0.0362	1	1
Leishmania major	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0135	0.3563	0.3563
Loa Loa (eye worm)	RecQ helicase	0.0019	0.0277	0.0277
Plasmodium vivax	perforin-like protein 5	0.0034	0.0688	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Loa Loa (eye worm)	carboxylesterase	0.0082	0.2049	0.2049
Trypanosoma cruzi	Emopamil binding protein, putative	0.0135	0.3563	0.3563
Brugia malayi	Carboxylesterase family protein	0.0082	0.2049	0.2049
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.0006	0.0006
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0019	0.0277	0.0277
Schistosoma mansoni	acetylcholinesterase	0.0014	0.0117	0.0569
Loa Loa (eye worm)	acetylcholinesterase 1	0.0082	0.2049	0.2049
Schistosoma mansoni	gliotactin	0.0014	0.0117	0.0569
Echinococcus multilocularis	carboxylesterase 5A	0.0082	0.2049	1
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0117	0.0117
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0006	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Echinococcus granulosus	macrophage expressed protein	0.0034	0.0688	0.3357
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0277	0.4025
Toxoplasma gondii	perforin-like protein PLP1	0.0034	0.0688	1
Trypanosoma brucei	Emopamil binding protein, putative	0.0135	0.3563	0.3563
Echinococcus granulosus	para nitrobenzyl esterase	0.0014	0.0117	0.0569
Echinococcus multilocularis	para nitrobenzyl esterase	0.0014	0.0117	0.0569
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0014	0.0117	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0117	0.0117
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0117	0.5
Entamoeba histolytica	recQ family DNA helicase	0.001	0.0006	0.0205
Schistosoma mansoni	hypothetical protein	0.0034	0.0688	0.3357
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Onchocerca volvulus		0.0014	0.0117	0.0327
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0019	0.0277	0.1351
Schistosoma mansoni	BC026374 protein (S09 family)	0.0014	0.0117	0.0569
Brugia malayi	Carboxylesterase family protein	0.0014	0.0117	0.0117
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0019	0.0277	0.1351
Brugia malayi	Carboxylesterase family protein	0.0082	0.2049	0.2049
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0019	0.0277	0.1351
Loa Loa (eye worm)	carboxylesterase	0.0014	0.0117	0.0117
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.0277	1
Echinococcus multilocularis	acetylcholinesterase	0.0082	0.2049	1
Trypanosoma cruzi	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0135	0.3563	0.3563
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0277	0.4025
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0277	0.0277
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.0006	0.5
Echinococcus granulosus	acetylcholinesterase	0.0082	0.2049	1
Plasmodium vivax	perforin-like protein 3	0.0034	0.0688	1
Echinococcus multilocularis	neuroligin	0.0014	0.0117	0.0569
Plasmodium falciparum	perforin-like protein 3	0.0034	0.0688	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0082	0.2049	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0014	0.0117	0.0569
Trichomonas vaginalis	DNA helicase recq, putative	0.0019	0.0277	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0277	0.0277
Chlamydia trachomatis	hypothetical protein	0.0034	0.0688	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0006	0.0006
Plasmodium falciparum	perforin-like protein 1	0.0034	0.0688	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0362	1	1
Schistosoma mansoni	DNA helicase recq1	0.0019	0.0277	0.1351
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0014	0.0117	0.5
Trypanosoma cruzi	3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative	0.0135	0.3563	0.3563
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.0006	0.0028
Echinococcus granulosus	BC026374 protein S09 family	0.0014	0.0117	0.0569
Plasmodium falciparum	perforin-like protein 4	0.0034	0.0688	1
Schistosoma mansoni	DNA helicase recq5	0.0019	0.0277	0.1351
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0277	0.0277
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0019	0.0277	0.0277
Onchocerca volvulus		0.0135	0.3563	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.0277	0.0277

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= -7.1	Inhibitory activity against human erythrocyte acetylcholinesterase	ChEMBL.	15317459
IC50 (binding)	= 78 nM	In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.	ChEMBL.	No reference
IC50 (binding)	= 78 nM	In vitro inhibition of acetylcholinesterase isolated from human erythrocytes.	ChEMBL.	No reference
pKa (ADMET)	= 9.1	Compound was evaluated for its acid dissociation constant	ChEMBL.	No reference

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: CHEMBL132030
PubChem: 19770286

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 230966