TDR Targets

Basic information

Technical information

TDR Targets ID: 336400
Name: 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-c arboxylic acid
MW: 185.263 | Formula: C10H19NO2
H donors: 2 H acceptors: 2 LogP: -0.84 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(C1CC1(CN)C(=O)O)CC
InChi: 1S/C10H19NO2/c1-3-7(4-2)8-5-10(8,6-11)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChiKey: MDYSJBCKHGDYQB-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

1-(aminomethyl)-2-(1-ethylpropyl)cyclopropanecarboxylic acid
1-(aminomethyl)-2-pentan-3-yl-cyclopropane-1-carboxylic acid
1-(aminomethyl)-2-(1-ethylpropyl)cyclopropane-1-carboxylic acid
1-(aminomethyl)-2-(1-ethylpropyl)-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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.003	0.2348	0.2874
Echinococcus multilocularis	cytochrome c	0.0032	0.2662	0.2662
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.7274	0.7274
Loa Loa (eye worm)	sema domain-containing protein	0.003	0.2348	0.2348
Schistosoma mansoni	semaphorin 5-related	0.003	0.2348	0.2874
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Echinococcus multilocularis	hypothetical protein	0.003	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Onchocerca volvulus		0.0072	0.8169	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0013	0	0.5
Leishmania major	cytochrome c, putative	0.0032	0.2662	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.7274	0.7274
Trypanosoma brucei	cytochrome c	0.0032	0.2662	0.5
Echinococcus granulosus	semaphorin 1A	0.003	0.2348	0.2348
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Echinococcus granulosus	cytochrome c	0.0032	0.2662	0.2662
Toxoplasma gondii	cytochrome c, putative	0.0032	0.2662	0.5
Loa Loa (eye worm)	cytochrome c type-1	0.0032	0.2662	0.2662
Schistosoma mansoni	hypothetical protein	0.0042	0.3991	0.4885
Loa Loa (eye worm)	acetylcholinesterase 1	0.0066	0.7274	0.7274
Schistosoma mansoni	plexin	0.0072	0.8169	1
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0066	0.7274	0.7274
Echinococcus multilocularis	acetylcholinesterase	0.0066	0.7274	0.7274
Echinococcus granulosus	semaphorin 5B	0.003	0.2348	0.2348
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0013	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Echinococcus granulosus	acetylcholinesterase	0.0066	0.7274	0.7274
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Plasmodium vivax	cytochrome c, putative	0.0032	0.2662	0.5
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0013	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0066	0.7274	0.8904
Schistosoma mansoni	cytochrome c	0.0032	0.2662	0.3259
Brugia malayi	Sema domain containing protein	0.003	0.2348	0.2348
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0013	0	0.5
Entamoeba histolytica	tyrosin kinase, putative	0.0018	0.0681	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.0013	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0066	0.7274	0.7274
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Brugia malayi	Carboxylesterase family protein	0.0066	0.7274	0.7274
Trypanosoma cruzi	cytochrome c, putative	0.0032	0.2662	0.5
Wolbachia endosymbiont of Brugia malayi	cytochrome c2	0.0032	0.2662	0.5
Brugia malayi	Cytochrome c type-1	0.0032	0.2662	0.2662
Brugia malayi	hypothetical protein	0.003	0.2348	0.2348
Loa Loa (eye worm)	carboxylesterase	0.0066	0.7274	0.7274
Brugia malayi	Sema domain containing protein	0.003	0.2348	0.2348
Plasmodium falciparum	cytochrome c, putative	0.0032	0.2662	0.5
Schistosoma mansoni	plexin	0.0042	0.3991	0.4885
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Leishmania major	cytochrome c, putative	0.0032	0.2662	0.5
Trypanosoma cruzi	cytochrome c, putative	0.0032	0.2662	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	0.5
Echinococcus multilocularis	plexin a4	0.0085	1	1
Brugia malayi	Plexin repeat family protein	0.0072	0.8169	0.8169
Loa Loa (eye worm)	sema domain-containing protein	0.003	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0042	0.3991	0.3991
Schistosoma mansoni	hypothetical protein	0.003	0.2348	0.2874
Brugia malayi	hypothetical protein	0.003	0.2348	0.2348
Echinococcus granulosus	plexin a4	0.0085	1	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.8169	0.8169
Loa Loa (eye worm)	plexin A	0.0085	1	1
Entamoeba histolytica	protein kinase domain containing protein	0.0018	0.0681	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Echinococcus multilocularis	semaphorin 5B	0.003	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.0066	0.7274	0.7274
Echinococcus granulosus	carboxylesterase 5A	0.0066	0.7274	0.7274
Echinococcus granulosus	acetylcholinesterase	0.0066	0.7274	0.7274
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Loa Loa (eye worm)	hypothetical protein	0.003	0.2348	0.2348
Trichomonas vaginalis	conserved hypothetical protein	0.0013	0	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
IC50 (functional)	> 8300 uM	Inhibition of [3H]-Leucine uptake into CHO cells	ChEMBL.	15828841
Ki (binding)	= 0.56 uM	Equilibrium dissociation constant for Voltage-gated calcium channel alpha2-delta subunit as inhibition of [3H]-gabapentin binding to pig brain membranes	ChEMBL.	15828841
Ki (binding)	= 0.63 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

PubChem: 10375158

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 336400