Detailed information for compound 1030435

Basic information

Technical information
  • TDR Targets ID: 1030435
  • Name: 3-(5-ethylpyridin-2-yl)propanoic acid
  • MW: 179.216 | Formula: C10H13NO2
  • H donors: 1 H acceptors: 3 LogP: 1.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(nc1)CCC(=O)O
  • InChi: 1S/C10H13NO2/c1-2-8-3-4-9(11-7-8)5-6-10(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13)
  • InChiKey: SYOWXWWUBHUOSX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(5-ethyl-2-pyridyl)propanoic acid
  • 3-(5-ethyl-2-pyridyl)propionic acid
  • NCIStruc2_000408
  • NCIStruc1_000536
  • NCI35989
  • NCGC00013418
  • NSC-35989
  • NCI60_003274
  • 3-(5-ethyl-2-pyridinyl)propanoic 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
Brugia malayi Rhodanese-like domain containing protein 0.0118 0.4096 0.4096
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0033 0.053 0.0672
Loa Loa (eye worm) hypothetical protein 0.0077 0.24 0.24
Schistosoma mansoni hypothetical protein 0.0023 0.0075 0.0095
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0118 0.4096 1
Schistosoma mansoni hypothetical protein 0.0033 0.053 0.0672
Loa Loa (eye worm) hypothetical protein 0.0043 0.093 0.093
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0075 0.2277 0.2888
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0033 0.053 0.0672
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Loa Loa (eye worm) RNA binding protein 0.0207 0.7886 0.7886
Entamoeba histolytica rodhanase-like domain containing protein 0.0118 0.4096 1
Onchocerca volvulus Putative hydrolase PNKD 0.0033 0.053 0.1293
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.3261 0.3261
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.3261 0.4136
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0118 0.4096 1
Echinococcus granulosus hydroxyacylglutathione hydrolase 0.0033 0.053 0.0672
Echinococcus granulosus chromobox protein 1 0.0076 0.2351 0.2982
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0125 0.4397 0.5575
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Loa Loa (eye worm) heterochromatin protein 1 0.0076 0.2351 0.2351
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1068 0.1805
Loa Loa (eye worm) hypothetical protein 0.0161 0.594 0.594
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.9143 0.9143
Echinococcus granulosus zinc phosphodiesterase 0.0033 0.053 0.0672
Brugia malayi Heterochromatin protein 1 0.0076 0.2351 0.2351
Schistosoma mansoni chromobox protein 0.0076 0.2351 0.2982
Loa Loa (eye worm) hydroxyacylglutathione hydrolase 0.0033 0.053 0.053
Brugia malayi TAR-binding protein 0.0207 0.7886 0.7886
Loa Loa (eye worm) hydroxyacylglutathione hydrolase cytoplasmic 0.0033 0.053 0.053
Chlamydia trachomatis ribonuclease Z 0.0033 0.053 0.5
Onchocerca volvulus 0.0033 0.053 0.1293
Echinococcus multilocularis hydroxyacylglutathione hydrolase 0.0033 0.053 0.0672
Brugia malayi RNA binding protein 0.0207 0.7886 0.7886
Onchocerca volvulus 0.0118 0.4096 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.164 0.2357
Onchocerca volvulus 0.0033 0.053 0.1293
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0164 0.0208
Loa Loa (eye worm) hypothetical protein 0.0034 0.0539 0.0539
Plasmodium vivax RNA helicase-1, putative 0.0075 0.2277 1
Brugia malayi Muscleblind-like protein 0.0161 0.594 0.594
Loa Loa (eye worm) hypothetical protein 0.0033 0.053 0.053
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 0.2277 1
Trichomonas vaginalis apoptosis inducing factor, putative 0.0033 0.053 0.0349
Brugia malayi Rhodanese-like domain containing protein 0.0118 0.4096 0.4096
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3261 0.4136
Loa Loa (eye worm) hypothetical protein 0.0047 0.1097 0.1097
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0118 0.4096 0.5195
Trichomonas vaginalis cdc25b, putative 0.0118 0.4096 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0075 0.2277 0.2888
Brugia malayi Bromodomain containing protein 0.0042 0.0895 0.0895
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 0.2277 0.2888
Brugia malayi metallo-beta-lactamase superfamily protein 0.0033 0.053 0.053
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0075 0.2277 0.49
Schistosoma mansoni lipoxygenase 0.0087 0.2808 0.3561
Trypanosoma brucei beta lactamase 0.0069 0.2057 0.8737
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0145 0.524 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.1068 0.2607
Plasmodium vivax hydroxyacyl glutathione hydrolase, putative 0.0033 0.053 0.2326
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0118 0.4096 1
Trichomonas vaginalis cdc25c, putative 0.0118 0.4096 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.1518 0.1518
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 0.2277 1
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0075 0.2277 1
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0758 0.0758
Trichomonas vaginalis cdc25b, putative 0.0118 0.4096 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.164 0.164
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.093 0.2271
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.006 0.164 0.2357
Plasmodium falciparum cytosolic glyoxalase II 0.0033 0.053 0.2326
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.2277 0.5078
Brugia malayi RNA recognition motif domain containing protein 0.0207 0.7886 0.7886
Onchocerca volvulus 0.0034 0.0539 0.1315
Echinococcus granulosus muscleblind protein 0.0161 0.594 0.7533
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0069 0.2057 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.3261 0.3261
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0125 0.4397 0.5575
Loa Loa (eye worm) hypothetical protein 0.0161 0.594 0.594
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.147 0.147
Echinococcus granulosus chromobox protein 1 0.0076 0.2351 0.2982
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0033 0.053 0.0349
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.093 0.1432
Schistosoma mansoni tar DNA-binding protein 0.0207 0.7886 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0075 0.2277 0.2888
Entamoeba histolytica rodhanase-like domain containing protein 0.0118 0.4096 1
Onchocerca volvulus 0.0118 0.4096 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.053 0.053
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.006 0.164 0.2357
Echinococcus granulosus tar DNA binding protein 0.0207 0.7886 1
Brugia malayi hypothetical protein 0.0033 0.053 0.053
Entamoeba histolytica rodhanase-like domain containing protein 0.0118 0.4096 1
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0075 0.2277 1
Schistosoma mansoni hypothetical protein 0.0165 0.6113 0.7752
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.2277 0.5078
Echinococcus granulosus ETHE1 protein 0.0033 0.053 0.0672
Loa Loa (eye worm) hypothetical protein 0.0039 0.0758 0.0758
Treponema pallidum ATP-dependent RNA helicase 0.0075 0.2277 1
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0118 0.4096 0.5195
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Loa Loa (eye worm) TAR-binding protein 0.0207 0.7886 0.7886
Loa Loa (eye worm) hypothetical protein 0.0033 0.053 0.053
Echinococcus multilocularis chromobox protein 1 0.0076 0.2351 0.2982
Echinococcus multilocularis tar DNA binding protein 0.0207 0.7886 1
Loa Loa (eye worm) hypothetical protein 0.0118 0.4096 0.4096
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2351 0.5278
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.164 0.208
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0075 0.2277 0.371
Onchocerca volvulus 0.0118 0.4096 1
Brugia malayi Bromodomain containing protein 0.0082 0.2599 0.2599
Schistosoma mansoni zinc phosphodiesterase 0.0033 0.053 0.0672
Trichomonas vaginalis chromobox protein, putative 0.0046 0.1068 0.1805
Schistosoma mansoni hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) 0.0033 0.053 0.0672
Schistosoma mansoni chromobox protein 0.0076 0.2351 0.2982
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0065 0.1889 0.2395
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.164 0.208
Loa Loa (eye worm) hypothetical protein 0.0075 0.2277 0.2277
Echinococcus multilocularis geminin 0.0165 0.6113 0.7752
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Echinococcus multilocularis chromobox protein 1 0.0076 0.2351 0.2982
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.3261 0.4136
Loa Loa (eye worm) hypothetical protein 0.0042 0.0899 0.0899
Wolbachia endosymbiont of Brugia malayi metallo-beta-lactamase superfamily hydrolase 0.0033 0.053 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0164 0.0208
Schistosoma mansoni lipoxygenase 0.0125 0.4397 0.5575
Brugia malayi eukaryotic initiation factor 4A 0.0075 0.2277 0.2277
Brugia malayi ethe1-prov protein 0.0033 0.053 0.053
Schistosoma mansoni hypothetical protein 0.0033 0.053 0.0672
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0062 0.0062
Echinococcus multilocularis zinc phosphodiesterase 0.0033 0.053 0.0672
Brugia malayi Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. 0.0033 0.053 0.053
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3261 0.4136
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0118 0.4096 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Trichomonas vaginalis chromobox protein, putative 0.0076 0.2351 0.5278
Schistosoma mansoni hypothetical protein 0.0039 0.0758 0.0961
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0075 0.2277 0.5559
Onchocerca volvulus 0.0118 0.4096 1
Schistosoma mansoni tar DNA-binding protein 0.0207 0.7886 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.164 0.208
Loa Loa (eye worm) hypothetical protein 0.0057 0.1518 0.1518
Loa Loa (eye worm) hypothetical protein 0.0118 0.4096 0.4096
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0207 0.7886 0.7886
Echinococcus granulosus metallo beta lactamase domain containing protein 0.0033 0.053 0.0672
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.006 0.164 0.6354
Brugia malayi metallo-beta-lactamase superfamily protein 0.0033 0.053 0.053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.3261 0.4136
Echinococcus multilocularis zinc finger protein 0.0021 0.0026 0.0033
Brugia malayi chromobox protein homolog 3 0.0043 0.093 0.093
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0164 0.0208
Echinococcus granulosus geminin 0.0165 0.6113 0.7752
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0065 0.1889 0.2395
Schistosoma mansoni tar DNA-binding protein 0.0207 0.7886 1
Schistosoma mansoni tar DNA-binding protein 0.0207 0.7886 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0075 0.2277 0.5078
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0118 0.4096 1
Plasmodium falciparum eukaryotic initiation factor 4A 0.0075 0.2277 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.3261 0.4136
Schistosoma mansoni hypothetical protein 0.0033 0.053 0.0672
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.093 0.1432
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0785 0.0996
Loa Loa (eye worm) hypothetical protein 0.0045 0.1008 0.1008
Loa Loa (eye worm) PHD-finger family protein 0.0023 0.0075 0.0075
Echinococcus granulosus eukaryotic initiation factor 4A 0.0075 0.2277 0.2888
Loa Loa (eye worm) hypothetical protein 0.0108 0.3707 0.3707
Brugia malayi follicle stimulating hormone receptor 0.0237 0.9143 0.9143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.1518 0.1518
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.1518 0.1518
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0075 0.2277 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.053 0.0349
Loa Loa (eye worm) transcription factor SMAD2 0.0257 1 1
Schistosoma mansoni bromodomain containing protein 0.0069 0.2055 0.2606
Echinococcus multilocularis ETHE1 protein 0.0033 0.053 0.0672
Schistosoma mansoni hypothetical protein 0.0165 0.6113 0.7752
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0785 0.0996
Trichomonas vaginalis beta lactamase domain, putative 0.0033 0.053 0.0349
Schistosoma mansoni zinc phosphodiesterase 0.0033 0.053 0.0672
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0075 0.2277 0.2888
Brugia malayi PHD-finger family protein 0.0027 0.0274 0.0274
Mycobacterium ulcerans lipoprotein LpqF 0.0069 0.2057 0.3241
Leishmania major eukaryotic initiation factor 4a, putative 0.0075 0.2277 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0257 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.3261 0.4136
Plasmodium vivax unspecified product 0.0033 0.053 0.2326
Echinococcus multilocularis muscleblind protein 0.0161 0.594 0.7533
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0075 0.2277 1
Loa Loa (eye worm) metallo-beta-lactamase superfamily protein 0.0033 0.053 0.053
Brugia malayi Cytochrome P450 family protein 0.0022 0.0062 0.0062
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0069 0.2057 0.3241
Schistosoma mansoni tar DNA-binding protein 0.0207 0.7886 1
Schistosoma mansoni zinc finger protein 0.0021 0.0026 0.0033
Loa Loa (eye worm) hypothetical protein 0.0033 0.053 0.053
Onchocerca volvulus Hydroxyacylglutathione hydrolase, mitochondrial homolog 0.0033 0.053 0.1293
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0118 0.4096 0.5195
Echinococcus multilocularis muscleblind protein 1 0.0161 0.594 0.7533
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0145 0.524 1
Trichomonas vaginalis A-type flavoprotein 0.0033 0.053 0.0349
Loa Loa (eye worm) hypothetical protein 0.0108 0.3707 0.3707
Echinococcus multilocularis metallo beta lactamase domain containing protein 0.0033 0.053 0.0672
Echinococcus granulosus zinc finger protein 0.0021 0.0026 0.0033

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Activity (binding) = -12 % Effect on human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at 100 uM at pH 7 ChEMBL. 20538467
Activity (binding) = -3 % Effect on human cytoplasmic protein tyrosine phosphatase B assessed as change in enzyme activity at 100 uM at pH 5 ChEMBL. 20538467
Activity (binding) = 4 % Effect on human cytoplasmic protein tyrosine phosphatase A assessed as change in enzyme activity at 100 uM at pH 5 ChEMBL. 20538467

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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