TDR Targets

Basic information

Technical information

TDR Targets ID: 571522
Name: 2-amino-3-(1-bromo-2-naphthyl)propanoic acid
MW: 294.144 | Formula: C13H12BrNO2
H donors: 2 H acceptors: 2 LogP: 0.53 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(Cc1ccc2c(c1Br)cccc2)N
InChi: 1S/C13H12BrNO2/c14-12-9(7-11(15)13(16)17)6-5-8-3-1-2-4-10(8)12/h1-6,11H,7,15H2,(H,16,17)
InChiKey: MKLJUWDSHVRLCX-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-azanyl-3-(1-bromonaphthalen-2-yl)propanoic acid
2-amino-3-(1-bromo-2-naphthyl)propionic acid
2-amino-3-(1-bromonaphthalen-2-yl)propanoic acid
beta-(1-bromo-2-naphthyl)alanine
58161-15-2
92634-96-3
2-Naphthalenepropanoic acid, alpha-amino-1-bromo-, (+-)-
NSC280305

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	para nitrobenzyl esterase	0.0056	0.0852	0.0377
Echinococcus multilocularis	geminin	0.017	0.4166	0.4398
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0371	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0329	0.8783	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2879	0.2879
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0056	0.0852	0.094
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0644	0.5
Schistosoma mansoni	BC026374 protein (S09 family)	0.0056	0.0852	0.094
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0056	0.0852	0.094
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0644	0.0644
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.0644	0.0498
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0541	0.0541
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.3486	0.3384
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0569	0.0617
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.2711	0.2711
Toxoplasma gondii	hypothetical protein	0.005	0.0687	1
Brugia malayi	glutathione reductase	0.0048	0.0644	0.0644
Brugia malayi	Carboxylesterase family protein	0.0056	0.0852	0.0852
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0501	0.0352
Echinococcus multilocularis	para nitrobenzyl esterase	0.0056	0.0852	0.0377
Schistosoma mansoni	hypothetical protein	0.017	0.4166	0.4726
Brugia malayi	Kelch motif family protein	0.0036	0.0292	0.0292
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0569	0.0034
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0056	0.0852	0.0377
Loa Loa (eye worm)	carboxylesterase	0.0329	0.8783	0.8783
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0056	0.0852	0.094
Echinococcus granulosus	integrin beta 2	0.0177	0.4372	0.4648
Brugia malayi	Carboxylesterase family protein	0.0329	0.8783	0.8783
Loa Loa (eye worm)	carboxylesterase	0.0056	0.0852	0.0852
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0123	0.2801	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0029	0.0029
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0569	0.0034
Schistosoma mansoni	hypothetical protein	0.0037	0.031	0.0321
Echinococcus granulosus	integrin alpha 3	0.0089	0.1833	0.1567
Echinococcus multilocularis	integrin alpha ps	0.0052	0.0756	0.0261
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0501	0.0352
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.8211	0.8183
Mycobacterium ulcerans	hypothetical protein	0.0163	0.3965	1
Echinococcus multilocularis	integrin alpha ps	0.0052	0.0756	0.0261
Brugia malayi	hypothetical protein	0.0036	0.0292	0.0292
Onchocerca volvulus	Huntingtin homolog	0.0125	0.2879	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0056	0.0852	0.094
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0056	0.0852	0.0626
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0569	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1895	0.1895
Schistosoma mansoni	DNA polymerase eta	0.0045	0.0541	0.0585
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1798	0.1798
Trypanosoma brucei	trypanothione reductase	0.0048	0.0644	0.0151
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.011	0.2444	0.5418
Brugia malayi	hypothetical protein	0.0056	0.0852	0.0852
Echinococcus granulosus	BC026374 protein S09 family	0.0056	0.0852	0.0377
Brugia malayi	Carboxylesterase family protein	0.0056	0.0852	0.0852
Echinococcus multilocularis	neuroligin	0.0056	0.0852	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Echinococcus granulosus	acetylcholinesterase	0.0329	0.8783	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0056	0.0852	0.0626
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0644	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0053	0.0777	0.0632
Mycobacterium tuberculosis	Probable reductase	0.011	0.2444	0.5418
Schistosoma mansoni	hypothetical protein	0.017	0.4166	0.4726
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.0541	0.0393
Brugia malayi	hypothetical protein	0.0125	0.2879	0.2879
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0569	0.0569
Brugia malayi	Thioredoxin reductase	0.0048	0.0644	0.0644
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0146	0.3486	0.3142
Loa Loa (eye worm)	hypothetical protein	0.0329	0.8783	0.8783
Echinococcus multilocularis	integrin alpha 3	0.0089	0.1833	0.1567
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0163	0.3965	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0056	0.0852	0.0626
Plasmodium falciparum	glutathione reductase	0.0048	0.0644	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0569	0.0034
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0123	0.2801	0.6495
Brugia malayi	Carboxylesterase family protein	0.0329	0.8783	0.8783
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0123	0.2801	0.6495
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.011	0.2444	0.5418
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0805	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Echinococcus multilocularis	integrin beta 2	0.0177	0.4372	0.4648
Loa Loa (eye worm)	hypothetical protein	0.0371	1	1
Schistosoma mansoni	integrin beta subunit	0.0141	0.3319	0.3759
Brugia malayi	Carboxylesterase family protein	0.0056	0.0852	0.0852
Echinococcus granulosus	integrin alpha ps	0.0052	0.0756	0.0261
Echinococcus granulosus	geminin	0.017	0.4166	0.4398
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0569	0.0569
Leishmania major	mitochondrial DNA polymerase beta	0.0309	0.8211	0.8183
Schistosoma mansoni	integrin alpha-ps	0.0052	0.0756	0.083
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.011	0.2444	0.5418
Echinococcus granulosus	acetylcholinesterase	0.0329	0.8783	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0123	0.2801	0.6495
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0088	0.1798	0.1798
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0501	0.0352
Echinococcus granulosus	neuroligin	0.0056	0.0852	0.0377
Schistosoma mansoni	gliotactin	0.0056	0.0852	0.094
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0371	1	1
Loa Loa (eye worm)	integrin beta-2	0.0239	0.6168	0.6168
Loa Loa (eye worm)	integrin alpha pat-2	0.018	0.4454	0.4454
Echinococcus multilocularis	carboxylesterase 5A	0.0329	0.8783	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0309	0.8211	0.8117
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0644	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.2711	0.2711
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1106	0.1106
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0569	0.0617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0569	0.0617
Brugia malayi	MH2 domain containing protein	0.012	0.2711	0.2711
Echinococcus granulosus	carboxylesterase 5A	0.0329	0.8783	1
Brugia malayi	Integrin alpha pat-2 precursor	0.0117	0.2622	0.2622
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Onchocerca volvulus	Huntingtin homolog	0.0125	0.2879	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0805	0.0805
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0644	0.0125
Leishmania major	trypanothione reductase	0.0048	0.0644	0.0498
Loa Loa (eye worm)	hypothetical protein	0.019	0.4739	0.4739
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.031	0.031
Schistosoma mansoni	acetylcholinesterase	0.0056	0.0852	0.094
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.0541	0.0541
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0056	0.0852	0.0377
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0309	0.8211	0.8183
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0056	0.0852	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0644	0.0125
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0056	0.0852	0.0377
Echinococcus multilocularis	acetylcholinesterase	0.0329	0.8783	1
Loa Loa (eye worm)	carboxylesterase	0.0056	0.0852	0.0852
Trichomonas vaginalis	spcc417.12 protein, putative	0.0056	0.0852	0.5
Loa Loa (eye worm)	hypothetical protein	0.0329	0.8783	0.8783
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0644	0.0644
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0292	0.0292
Leishmania major	C-8 sterol isomerase-like protein	0.0371	1	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.011	0.2444	0.5418
Loa Loa (eye worm)	acetylcholinesterase 1	0.0329	0.8783	0.8783
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0805	0.0805
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2879	0.2879
Brugia malayi	Integrin beta pat-3 precursor	0.0239	0.6168	0.6168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.031	0.031
Schistosoma mansoni	integrin alpha	0.0117	0.2622	0.2962
Leishmania major	DNA polymerase eta, putative	0.0045	0.0541	0.0393
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0036	0.0292	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Brugia malayi	Carboxylesterase family protein	0.0056	0.0852	0.0852
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0329	0.8783	1
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0644	0.9204
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.0541	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0852	0.0852
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0805	0.0805
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.011	0.2444	0.5418
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0146	0.3486	0.3384

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 200 ug ml-1	Antimicrobial activity against Escherichia coli ATCC 9723 after 16 hrs by spectrophotometry	ChEMBL.	768475

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

Search by CAS
ChEMBL: CHEMBL3272604
PubChem: 322484

Bibliographic References

No literature references available for this target.

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Detailed information for compound 571522