TDR Targets

Basic information

Technical information

TDR Targets ID: 2072516
Name: [4-[(diaminomethylideneamino)methyl]phenyl]bo ronic acid
MW: 193.011 | Formula: C8H12BN3O2
H donors: 4 H acceptors: 2 LogP: -0.54 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OB(c1ccc(cc1)CNC(=N)N)O
InChi: 1S/C8H12BN3O2/c10-8(11)12-5-6-1-3-7(4-2-6)9(13)14/h1-4,13-14H,5H2,(H4,10,11,12)
InChiKey: AJHZTPULNIOMAE-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

[4-(guanidinomethyl)phenyl]boronic acid

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	integrin alpha ps	0.0018	0.0009	0.0007
Loa Loa (eye worm)	integrin alpha pat-2	0.0128	0.0295	0.0446
Brugia malayi	Hemopexin family protein	0.1496	0.3856	0.5801
Loa Loa (eye worm)	hypothetical protein	0.1064	0.2732	0.4123
Echinococcus multilocularis	n acetylated alpha linked acidic dipeptidase 2	0.0036	0.0056	0.0054
Onchocerca volvulus	Matrilysin homolog	0.1064	0.2732	0.4295
Schistosoma mansoni	NAALADASE L peptidase (M28 family)	0.0023	0.0023	0.0057
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0179	0.0427	0.1105
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.009	0.0197	0.0507
Schistosoma mansoni	hypothetical protein	0.1496	0.3856	1
Loa Loa (eye worm)	matrixin family protein	0.256	0.6626	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.236	0.6106	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0132	0.0199
Echinococcus multilocularis	expressed protein	0.0052	0.0097	0.0095
Trichomonas vaginalis	conserved hypothetical protein	0.0052	0.0097	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0193	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0427	0.0645
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Brugia malayi	Matrixin family protein	0.256	0.6626	1
Schistosoma mansoni	endothelin-converting enzyme-related	0.0044	0.0076	0.0192
Brugia malayi	Peptidase family M13 containing protein	0.0179	0.0427	0.0603
Brugia malayi	Matrixin family protein	0.1064	0.2732	0.4097
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0306	0.0462
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.005	0.0094	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.003	0.0045
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0044	0.0076	0.0192
Loa Loa (eye worm)	integrin beta-2	0.017	0.0405	0.0611
Onchocerca volvulus	Matrilysin homolog	0.236	0.6106	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0132	0.0306	0.0462
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Echinococcus granulosus	integrin alpha ps	0.0037	0.0059	0.0058
Brugia malayi	Integrin beta pat-3 precursor	0.017	0.0405	0.0569
Echinococcus granulosus	integrin alpha 3	0.0064	0.0128	0.0126
Loa Loa (eye worm)	hypothetical protein	0.1296	0.3336	0.5035
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0427	0.0645
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0047	0.0084	0.0213
Loa Loa (eye worm)	kelch domain-containing protein family protein	0.0027	0.0033	0.005
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.1064	0.2732	0.7084
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0044	0.0076	0.0192
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0044	0.0076	0.0192
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0052	0.0097	0.0102
Onchocerca volvulus		0.1064	0.2732	0.4295
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Toxoplasma gondii	peptidylprolyl isomerase	0.005	0.0094	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0306	0.0462
Echinococcus granulosus	endothelin converting enzyme 1	0.0179	0.0427	0.0426
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0026	0.0039
Echinococcus granulosus	expressed protein	0.0052	0.0097	0.0095
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.009	0.0197	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0306	0.0462
Echinococcus granulosus	integrin beta 2	0.0126	0.029	0.0288
Loa Loa (eye worm)	matrix metalloproteinase	0.1064	0.2732	0.4123
Echinococcus multilocularis	integrin alpha ps	0.0037	0.0059	0.0058
Brugia malayi	Matrixin family protein	0.1064	0.2732	0.4097
Echinococcus multilocularis	integrin alpha ps	0.0037	0.0059	0.0058
Onchocerca volvulus		0.1496	0.3856	0.6195
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0044	0.0076	0.0114
Echinococcus multilocularis	integrin beta 2	0.0126	0.029	0.0288
Mycobacterium leprae	PROBABLE HYDROLASE	0.1296	0.3336	1
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0063	0.0126	0.0146
Echinococcus multilocularis	integrin alpha 3	0.0064	0.0128	0.0126
Brugia malayi	Integrin alpha pat-2 precursor	0.0083	0.0178	0.0225
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.009	0.0197	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0044	0.0076	0.0192
Schistosoma mansoni	hypothetical protein	0.0018	0.0009	0.0019
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Loa Loa (eye worm)	matrixin family protein	0.236	0.6106	0.9215
Schistosoma mansoni	neprilysin-2 (M13 family)	0.009	0.0197	0.0507
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Schistosoma mansoni	integrin alpha-ps	0.0019	0.0013	0.0029
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.3856	1	1
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Schistosoma mansoni	neprilysin	0.0047	0.0084	0.0213
Schistosoma mansoni	integrin beta subunit	0.01	0.0223	0.0574
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0052	0.0097	0.0146
Echinococcus multilocularis	endothelin converting enzyme 1	0.0179	0.0427	0.0426
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Brugia malayi	Matrixin family protein	0.1064	0.2732	0.4097
Loa Loa (eye worm)	hypothetical protein	0.1064	0.2732	0.4123
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.005	0.0094	1
Echinococcus multilocularis	integrin alpha ps	0.0018	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0126	0.019
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.1296	0.3336	0.5012
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0132	0.0306	0.0462
Schistosoma mansoni	rotamase	0.0052	0.0097	0.0247
Brugia malayi	Matrixin family protein	0.1064	0.2732	0.4097
Brugia malayi	Kelch motif family protein	0.0027	0.0033	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0132	0.0306	0.0462
Loa Loa (eye worm)	hypothetical protein	0.1064	0.2732	0.4123
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0314	0.0474
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.005	0.0094	1
Schistosoma mansoni	integrin alpha-ps	0.0037	0.0059	0.0149
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.009	0.0197	0.0507
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.005	0.0094	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0019
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0015	0.0002	0.0002
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.0016	0.0003	0.5
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0179	0.0427	0.0603
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0049	0.0074
Schistosoma mansoni	hypothetical protein	0.0047	0.0084	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0081	0.0123
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0044	0.0076	0.0192
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.1296	0.3336	1
Schistosoma mansoni	integrin alpha	0.0083	0.0178	0.0458
Toxoplasma gondii	peptidase family M13 protein	0.0179	0.0427	1
Trichomonas vaginalis	rotamase, putative	0.0052	0.0097	1
Loa Loa (eye worm)	hypothetical protein	0.0179	0.0427	0.0645
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.005	0.0094	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0009	0.0013
Mycobacterium ulcerans	hydrolase	0.1296	0.3336	1
Brugia malayi	peptidase family M13 containing protein	0.0044	0.0076	0.007
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.053	0.1342	0.3479
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0058	0.0087

Activities

No activities found for this compound.

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: CHEMBL3545670

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 2072516