Detailed information for compound 336401

Basic information

Technical information
  • TDR Targets ID: 336401
  • Name: 1-(aminomethyl)-2,2-dipropylcyclopropane-1-ca rboxylic acid
  • MW: 199.29 | Formula: C11H21NO2
  • H donors: 2 H acceptors: 2 LogP: -0.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC1(CCC)CC1(CN)C(=O)O
  • InChi: 1S/C11H21NO2/c1-3-5-10(6-4-2)7-11(10,8-12)9(13)14/h3-8,12H2,1-2H3,(H,13,14)
  • InChiKey: AKJJFCPNUBGFKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(aminomethyl)-2,2-dipropyl-cyclopropanecarboxylic acid
  • 1-(aminomethyl)-2,2-dipropylcyclopropanecarboxylic acid
  • 1-(aminomethyl)-2,2-dipropyl-cyclopropane-1-carboxylic acid
  • 1-(aminomethyl)-2,2-dipropyl-1-cyclopropanecarboxylic 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
Leishmania major cytochrome c, putative 0.0032 0.2662 0.5
Echinococcus granulosus semaphorin 5B 0.003 0.2348 0.2348
Trypanosoma cruzi cytochrome c, putative 0.0032 0.2662 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0013 0 0.5
Loa Loa (eye worm) cytochrome c type-1 0.0032 0.2662 0.2662
Brugia malayi Carboxylesterase family protein 0.0066 0.7274 0.7274
Schistosoma mansoni plexin 0.0042 0.3991 0.4885
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0013 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Loa Loa (eye worm) sema domain-containing protein 0.003 0.2348 0.2348
Echinococcus multilocularis semaphorin 5B 0.003 0.2348 0.2348
Echinococcus multilocularis acetylcholinesterase 0.0066 0.7274 0.7274
Schistosoma mansoni semaphorin 5-related 0.003 0.2348 0.2874
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.7274 0.8904
Wolbachia endosymbiont of Brugia malayi cytochrome c2 0.0032 0.2662 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Schistosoma mansoni hypothetical protein 0.003 0.2348 0.2874
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.7274 0.7274
Schistosoma mansoni hypothetical protein 0.003 0.2348 0.2874
Brugia malayi Carboxylesterase family protein 0.0066 0.7274 0.7274
Schistosoma mansoni hypothetical protein 0.0042 0.3991 0.4885
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Echinococcus granulosus cytochrome c 0.0032 0.2662 0.2662
Brugia malayi Sema domain containing protein 0.003 0.2348 0.2348
Loa Loa (eye worm) hypothetical protein 0.0066 0.7274 0.7274
Plasmodium vivax cytochrome c, putative 0.0032 0.2662 0.5
Schistosoma mansoni cytochrome c 0.0032 0.2662 0.3259
Echinococcus granulosus acetylcholinesterase 0.0066 0.7274 0.7274
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0013 0 0.5
Trypanosoma brucei cytochrome c 0.0032 0.2662 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Echinococcus multilocularis hypothetical protein 0.003 0.2348 0.2348
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Entamoeba histolytica tyrosin kinase, putative 0.0018 0.0681 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0013 0 0.5
Echinococcus granulosus carboxylesterase 5A 0.0066 0.7274 0.7274
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Brugia malayi Cytochrome c type-1 0.0032 0.2662 0.2662
Loa Loa (eye worm) hypothetical protein 0.0042 0.3991 0.3991
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) plexin A 0.0085 1 1
Brugia malayi Plexin repeat family protein 0.0072 0.8169 0.8169
Echinococcus multilocularis cytochrome c 0.0032 0.2662 0.2662
Echinococcus multilocularis plexin a4 0.0085 1 1
Schistosoma mansoni plexin 0.0072 0.8169 1
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.7274 0.7274
Echinococcus granulosus plexin a4 0.0085 1 1
Onchocerca volvulus 0.0072 0.8169 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Plasmodium falciparum cytochrome c, putative 0.0032 0.2662 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Entamoeba histolytica protein kinase domain containing protein 0.0018 0.0681 1
Echinococcus multilocularis acetylcholinesterase 0.0066 0.7274 0.7274
Loa Loa (eye worm) hypothetical protein 0.0066 0.7274 0.7274
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0013 0 0.5
Loa Loa (eye worm) sema domain-containing protein 0.003 0.2348 0.2348
Echinococcus granulosus acetylcholinesterase 0.0066 0.7274 0.7274
Trichomonas vaginalis conserved hypothetical protein 0.0013 0 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.2348 0.2348
Brugia malayi Sema domain containing protein 0.003 0.2348 0.2348
Loa Loa (eye worm) carboxylesterase 0.0066 0.7274 0.7274
Echinococcus granulosus semaphorin 1A 0.003 0.2348 0.2348
Trypanosoma cruzi cytochrome c, putative 0.0032 0.2662 0.5
Brugia malayi hypothetical protein 0.003 0.2348 0.2348
Leishmania major cytochrome c, putative 0.0032 0.2662 0.5
Brugia malayi hypothetical protein 0.003 0.2348 0.2348
Loa Loa (eye worm) hypothetical protein 0.0072 0.8169 0.8169
Toxoplasma gondii cytochrome c, putative 0.0032 0.2662 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 2490 uM Inhibition of [3H]-Leucine uptake into CHO cells ChEMBL. 15828841
Ki (binding) = 0.2 uM Equilibrium dissociation constant for Voltage-gated calcium channel alpha2-delta subunit as inhibition of [3H]-gabapentin binding to pig brain membranes ChEMBL. 15828841

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

1 literature reference was collected for this gene.

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