TDR Targets

Basic information

Technical information

TDR Targets ID: 353524
Name: 2-amino-2-(3-chloro-4-fluorophenyl)acetic aci d
MW: 203.598 | Formula: C8H7ClFNO2
H donors: 2 H acceptors: 2 LogP: -0.98 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(c1ccc(c(c1)Cl)F)N
InChi: 1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChiKey: DVSWHHQDQJPPBH-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

2-amino-2-(3-chloro-4-fluoro-phenyl)acetic acid
2-azanyl-2-(3-chloro-4-fluoro-phenyl)ethanoic acid
2-amino-2-(3-chloro-4-fluoro-phenyl)ethanoic acid
261762-99-6
3-Chloro-4-fluoro-DL-phenylglycine
JRD-1093

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	calcium channel, voltage-dependent, alpha2/delta subunit 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	voltage dependent calcium channel subunit	Get druggable targets OG5_133164	All targets in OG5_133164
Echinococcus multilocularis	voltage dependent calcium channel subunit	Get druggable targets OG5_133164	All targets in OG5_133164

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	voltage dependent calcium channel subunit	calcium channel, voltage-dependent, alpha2/delta subunit 1	1103 aa	1025 aa	23.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	amine GPCR	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0107	0.008	0.0303
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0107	0.008	0.0303
Brugia malayi	neuropeptide F receptor	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	G protein-coupled receptor	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	melatonin receptor type 1A	0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0107	0.008	0.0303
Loa Loa (eye worm)	G-protein coupled receptor	0.0107	0.008	0.5
Brugia malayi	GnHR receptor homolog	0.0107	0.008	0.5
Schistosoma mansoni	neuropeptide receptor	0.0107	0.008	0.0303
Schistosoma mansoni	biogenic amine receptor	0.0107	0.008	0.0303
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	neuropeptide receptor	0.0107	0.008	0.0303
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	myosin xvIII	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0107	0.008	0.0303
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	adenoreceptor	0.0107	0.008	0.0303
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	amine GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0107	0.008	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0107	0.008	0.0303
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	Serotonin receptor	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0107	0.008	0.0303
Brugia malayi	Dopamine receptor protein 1	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0193	0.2632	1
Onchocerca volvulus		0.0107	0.008	0.5
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0443	1	1
Schistosoma mansoni	hypothetical protein	0.0107	0.008	0.0303
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0107	0.008	0.5
Schistosoma mansoni	amine GPCR	0.0107	0.008	0.0303
Schistosoma mansoni	biogenic amine receptor	0.0107	0.008	0.0303
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	RE15519p	0.0107	0.008	0.5
Schistosoma mansoni	neuropeptide receptor	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	hypothetical protein	0.0107	0.008	0.0303
Brugia malayi	neuropeptide F receptor	0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0107	0.008	0.5
Brugia malayi	ORL1-like opioid receptor	0.0107	0.008	0.5
Brugia malayi	larval opioid receptor	0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	histamine h1 receptor	0.0107	0.008	0.0303
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	opsin-like receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	Serotonin receptor	0.0107	0.008	0.5
Schistosoma mansoni	neuropeptide f receptor 76f	0.0107	0.008	0.0303
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	amine GPCR	0.0107	0.008	0.0303
Brugia malayi	Dopamine receptor	0.0107	0.008	0.5
Brugia malayi	G-protein coupled receptor	0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0107	0.008	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.0107	0.008	0.0303
Schistosoma mansoni	neuropeptide receptor	0.0107	0.008	0.0303
Schistosoma mansoni	opsin-like receptor	0.0107	0.008	0.0303
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Schistosoma mansoni	neuropeptide F-like receptor	0.0107	0.008	0.0303
Schistosoma mansoni	hypothetical protein	0.0107	0.008	0.0303
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0107	0.008	0.5
Brugia malayi	sulfakinin receptor protein	0.0107	0.008	0.5
Schistosoma mansoni	hypothetical protein	0.0107	0.008	0.0303
Brugia malayi	AKH receptor	0.0107	0.008	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0107	0.008	0.0303
Schistosoma mansoni	biogenic amine receptor	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0202	0.2874	0.2817
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.0107	0.008	0.0303
Brugia malayi	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	G-protein coupled receptor	0.0107	0.008	0.5
Brugia malayi	Melatonin receptor type 1A	0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0107	0.008	0.0303
Brugia malayi	follicle stimulating hormone receptor	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.0107	0.008	0.5
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0202	0.2874	0.2817
Brugia malayi	putative neuropeptide receptor NPR1	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Brugia malayi	putative neuropeptide receptor	0.0107	0.008	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0107	0.008	0.0303
Schistosoma mansoni	opsin-like receptor	0.0107	0.008	0.0303
Loa Loa (eye worm)	neuropeptide F receptor	0.0107	0.008	0.5
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0107	0.008	0.5
Onchocerca volvulus		0.0107	0.008	0.5
Brugia malayi	G protein-coupled receptor F59B2.13	0.0107	0.008	0.5
Brugia malayi	Dopamine receptor protein 2	0.0107	0.008	0.5
Schistosoma mansoni	amine GPCR	0.0107	0.008	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.008	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -6.51	Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain	ChEMBL.	16380257
Ki (binding)	= 0.31 uM	Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain	ChEMBL.	16380257
Ki (binding)	= 0.31 uM	Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain	ChEMBL.	16380257
Log Ki (binding)	= -6.51	Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain	ChEMBL.	16380257

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

PubChem: 2773727

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 353524