Detailed information for compound 995176

Basic information

Technical information
  • TDR Targets ID: 995176
  • Name: 2-amino-3-[2-(aminomethyl)phenyl]propanoic ac id
  • MW: 194.23 | Formula: C10H14N2O2
  • H donors: 3 H acceptors: 2 LogP: -2.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCc1ccccc1CC(C(=O)O)N
  • InChi: 1S/C10H14N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)
  • InChiKey: RDAKEAJYLGZEEA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-amino-3-[2-(aminomethyl)phenyl]propionic 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis spcc417.12 protein, putative 0.0024 0.0107 1
Onchocerca volvulus 0.0024 0.0107 0.0628
Brugia malayi hypothetical protein 0.0022 0.005 0.0077
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0021 0.0033
Schistosoma mansoni laminin gamma-3 chain 0.0025 0.0141 0.0141
Brugia malayi follicle stimulating hormone receptor 0.0247 0.6558 1
Onchocerca volvulus 0.0024 0.0107 0.0628
Brugia malayi Thrombospondin N-terminal -like domain containing protein 0.0025 0.0141 0.0214
Loa Loa (eye worm) abnormal epIthelia family member 0.0025 0.0141 0.0214
Leishmania major squalene monooxygenase-like protein 0.0337 0.9168 1
Echinococcus multilocularis tumor protein p63 0.036 0.9832 0.9832
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Echinococcus multilocularis para nitrobenzyl esterase 0.0024 0.0107 0.0107
Onchocerca volvulus 0.0024 0.0107 0.0628
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0061 0.1176 0.1176
Echinococcus granulosus acetylcholinesterase 0.014 0.3461 0.3461
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0021 0.2004
Schistosoma mansoni slit 0.0025 0.0141 0.0141
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Loa Loa (eye worm) hypothetical protein 0.0022 0.005 0.0077
Brugia malayi EGF-like domain containing protein 0.0025 0.0141 0.0214
Trypanosoma cruzi lanosterol synthase, putative 0.0145 0.3629 0.3958
Echinococcus granulosus neuroligin 0.0024 0.0107 0.0107
Leishmania major lanosterol synthase, putative 0.0126 0.3054 0.333
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0021 0.0021
Echinococcus granulosus RUN 0.0022 0.005 0.005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0107 0.0107
Mycobacterium tuberculosis Carboxylesterase LipT 0.0024 0.0107 0.0492
Echinococcus multilocularis slit 2 protein 0.0025 0.0141 0.0141
Schistosoma mansoni gliotactin 0.0024 0.0107 0.0107
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0021 0.0023
Echinococcus granulosus neurogenic locus notch protein 0.0025 0.0141 0.0141
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0025 0.0141 0.0214
Echinococcus multilocularis Polycystic kidney disease protein 0.0022 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Brugia malayi Doublecortin family protein 0.0022 0.005 0.0077
Loa Loa (eye worm) acetylcholinesterase 1 0.014 0.3461 0.5277
Schistosoma mansoni ap endonuclease 0.0021 0.0021 0.0021
Echinococcus multilocularis RUN 0.0022 0.005 0.005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0022 0.005 0.0077
Loa Loa (eye worm) hypothetical protein 0.0025 0.0141 0.0214
Echinococcus multilocularis BC026374 protein (S09 family) 0.0024 0.0107 0.0107
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0021 0.0023
Echinococcus granulosus slit 2 protein 0.0025 0.0141 0.0141
Schistosoma mansoni chondroitin sulfate proteoglycan-related 0.0025 0.0141 0.0141
Trypanosoma cruzi squalene monooxygenase, putative 0.0337 0.9168 1
Echinococcus granulosus BC026374 protein S09 family 0.0024 0.0107 0.0107
Brugia malayi laminin alpha chain 0.0025 0.0141 0.0214
Schistosoma mansoni cell polarity protein 0.0025 0.0141 0.0141
Trypanosoma cruzi squalene monooxygenase, putative 0.0337 0.9168 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0021 0.0023
Brugia malayi Carboxylesterase family protein 0.0024 0.0107 0.0163
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0061 0.1176 0.1176
Onchocerca volvulus 0.0024 0.0107 0.0628
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0021 0.0023
Echinococcus granulosus acetylcholinesterase 0.014 0.3461 0.3461
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.005 0.005
Brugia malayi Carboxylesterase family protein 0.014 0.3461 0.5277
Schistosoma mansoni neuroligin 3 (S09 family) 0.0024 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Brugia malayi Carboxylesterase family protein 0.0024 0.0107 0.0163
Plasmodium falciparum LCCL domain-containing protein 0.0022 0.005 1
Loa Loa (eye worm) hypothetical protein 0.014 0.3461 0.5277
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0021 0.5
Brugia malayi Carboxylesterase family protein 0.014 0.3461 0.5277
Loa Loa (eye worm) hypothetical protein 0.0053 0.0948 0.1445
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Echinococcus multilocularis pikachurin 0.0025 0.0141 0.0141
Schistosoma mansoni ap endonuclease 0.0021 0.0021 0.0021
Onchocerca volvulus 0.0053 0.0948 1
Schistosoma mansoni rab6-interacting 0.0022 0.005 0.005
Schistosoma mansoni rab6-interacting 0.0022 0.005 0.005
Loa Loa (eye worm) carboxylesterase 0.0024 0.0107 0.0163
Mycobacterium ulcerans carboxylesterase, LipT 0.0024 0.0107 1
Echinococcus multilocularis acetylcholinesterase 0.014 0.3461 0.3461
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 0.6558 1
Echinococcus granulosus para nitrobenzyl esterase 0.0024 0.0107 0.0107
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0107 0.0492
Echinococcus granulosus carboxylesterase 5A 0.014 0.3461 0.3461
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0021 0.4253
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0024 0.0107 0.0107
Schistosoma mansoni loxhd1 0.0022 0.005 0.005
Schistosoma mansoni BC026374 protein (S09 family) 0.0024 0.0107 0.0107
Schistosoma mansoni lipoxygenase 0.0022 0.005 0.005
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0024 0.0107 0.0163
Brugia malayi hypothetical protein 0.0024 0.0107 0.0163
Schistosoma mansoni lipoxygenase 0.0061 0.1176 0.1176
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.005 0.005
Echinococcus granulosus lipoxygenase domain containing protein 0.0022 0.005 0.005
Echinococcus granulosus tumor protein p63 0.036 0.9832 0.9832
Brugia malayi laminin-like protein K08C7.3 precursor 0.0025 0.0141 0.0214
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0021 0.5
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0021 1
Trypanosoma brucei lanosterol synthase 0.0145 0.3629 0.3958
Schistosoma mansoni acetylcholinesterase 0.0024 0.0107 0.0107
Echinococcus multilocularis neurogenic locus notch protein 0.0025 0.0141 0.0141
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0024 0.0107 0.0107
Brugia malayi Carboxylesterase family protein 0.0024 0.0107 0.0163
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0021 0.0033
Trypanosoma brucei squalene monooxygenase, putative 0.0337 0.9168 1
Loa Loa (eye worm) hypothetical protein 0.014 0.3461 0.5277
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0024 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.0025 0.0141 0.0214
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.014 0.3461 0.3461
Loa Loa (eye worm) doublecortin family protein 0.0022 0.005 0.0077
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0024 0.0107 1
Toxoplasma gondii exonuclease III APE 0.0021 0.0021 1
Echinococcus multilocularis geminin 0.0366 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0021 0.2004
Plasmodium vivax multidomain scavenger receptor, putative 0.0022 0.005 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0022 0.005 0.005
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0021 1
Schistosoma mansoni hypothetical protein 0.0366 1 1
Loa Loa (eye worm) carboxylesterase 0.0024 0.0107 0.0163
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0021 0.4253
Echinococcus multilocularis carboxylesterase 5A 0.014 0.3461 0.3461
Brugia malayi Carboxylesterase family protein 0.0024 0.0107 0.0163
Echinococcus multilocularis neuroligin 0.0024 0.0107 0.0107
Schistosoma mansoni hypothetical protein 0.0366 1 1
Echinococcus granulosus Polycystic kidney disease protein 0.0022 0.005 0.005
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0024 0.0107 0.0492
Brugia malayi hypothetical protein 0.0022 0.005 0.0077
Schistosoma mansoni polycystin 1-related 0.0022 0.005 0.005
Loa Loa (eye worm) carboxylesterase 0.014 0.3461 0.5277
Onchocerca volvulus 0.0024 0.0107 0.0628
Echinococcus multilocularis acetylcholinesterase 0.014 0.3461 0.3461
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0081 0.1752 1
Schistosoma mansoni hypothetical protein 0.0022 0.005 0.005
Trypanosoma cruzi lanosterol synthase, putative 0.0145 0.3629 0.3958
Echinococcus granulosus pikachurin 0.0025 0.0141 0.0141

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

Bibliographic References

No literature references available for this target.

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