Detailed information for compound 1177924

Basic information

Technical information
  • TDR Targets ID: 1177924
  • Name: (4-amino-1-cyclopentenyl)-butylphosphinic aci d
  • MW: 203.218 | Formula: C9H18NO2P
  • H donors: 2 H acceptors: 2 LogP: -2.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCP(=O)(C1=CCC(C1)N)O
  • InChi: 1S/C9H18NO2P/c1-2-3-6-13(11,12)9-5-4-8(10)7-9/h5,8H,2-4,6-7,10H2,1H3,(H,11,12)
  • InChiKey: WCUPFODMXRJZNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-amino-1-cyclopentenyl)-butyl-phosphinic 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 Carboxylesterase family protein 0.0072 0.1543 0.1918
Brugia malayi Importin beta-1 subunit 0.0029 0.0366 0.0455
Leishmania major hypothetical protein, conserved 0.0036 0.0558 1
Echinococcus multilocularis glutamate receptor 2 0.0029 0.0388 0.0388
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0283 0.7252 0.9012
Mycobacterium ulcerans lipase LipD 0.0036 0.0558 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1358 0.1475
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0162 0.0162
Loa Loa (eye worm) RGC/RGC protein kinase 0.0029 0.0388 0.0388
Entamoeba histolytica hypothetical protein 0.0023 0.022 0.2427
Echinococcus multilocularis tyrosine kinase 0.0029 0.0388 0.0388
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1358 0.1358
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0867 0.0867
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0558 1
Entamoeba histolytica hypothetical protein 0.0038 0.061 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0558 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0867 0.1078
Echinococcus granulosus tar DNA binding protein 0.0065 0.1358 0.1358
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0558 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.7847 0.7847
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1358 0.1475
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0262 0.6674 0.6674
Entamoeba histolytica hypothetical protein 0.0038 0.061 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0072 0.1543 0.1543
Toxoplasma gondii ABC1 family protein 0.0036 0.0558 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0029 0.0388 0.4018
Loa Loa (eye worm) hypothetical protein 0.0072 0.1543 0.1543
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Onchocerca volvulus 0.0036 0.0558 0.5785
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0051 0.0965 0.1048
Brugia malayi TAR-binding protein 0.0065 0.1358 0.1687
Schistosoma mansoni ran 0.0021 0.0162 0.0176
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0558 0.0818
Schistosoma mansoni ap endonuclease 0.0019 0.0095 0.0103
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0558 0.0818
Loa Loa (eye worm) hypothetical protein 0.0029 0.0366 0.0366
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0558 0.0558
Brugia malayi hypothetical protein 0.0038 0.061 0.0758
Echinococcus multilocularis nmda type glutamate receptor 0.0029 0.0388 0.0388
Brugia malayi Guanylyl cyclase protein 23 0.0029 0.0388 0.0482
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0558 0.0694
Loa Loa (eye worm) RGC/RGC protein kinase 0.0029 0.0388 0.0388
Schistosoma mansoni protein kinase 0.0029 0.0388 0.0421
Onchocerca volvulus 0.0036 0.0558 0.5785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0867 0.0942
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0162 0.0162
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0388 0.0388
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.022 0.2699
Trypanosoma cruzi extracellular receptor, putative 0.0029 0.0388 0.6322
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0867 0.0867
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1358 0.1475
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0366 0.5853
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Echinococcus granulosus geminin 0.0167 0.4114 0.4114
Schistosoma mansoni glutamate receptor NMDA 0.0029 0.0388 0.0421
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0095 0.5
Echinococcus multilocularis geminin 0.0167 0.4114 0.4114
Echinococcus granulosus atrial natriuretic peptide receptor 0.0029 0.0388 0.0388
Entamoeba histolytica hypothetical protein 0.0038 0.061 1
Trichomonas vaginalis esterase, putative 0.0036 0.0558 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1358 0.1687
Echinococcus granulosus snurportin 1 0.0305 0.7847 0.7847
Loa Loa (eye worm) glutamate receptor 0.0123 0.2918 0.2918
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0051 0.0965 0.0965
Brugia malayi Metabotropic glutamate receptor precursor. 0.0313 0.8046 1
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0029 0.0388 0.0388
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0366 0.0366
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1358 0.1475
Mycobacterium tuberculosis Conserved protein 0.0036 0.0558 0.0818
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0162 0.145
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0558 0.0818
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0558 0.0818
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0558 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.2778 0.2778
Plasmodium falciparum importin beta, putative 0.0029 0.0366 1
Onchocerca volvulus 0.0029 0.0388 0.4018
Brugia malayi follicle stimulating hormone receptor 0.0228 0.5773 0.7174
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0162 0.0201
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0095 0.0095
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0867 0.0867
Onchocerca volvulus Poor gastrulation protein homolog 0.0051 0.0965 1
Loa Loa (eye worm) carboxylesterase 0.0072 0.1543 0.1543
Schistosoma mansoni metabotropic glutamate receptor 0.0262 0.6674 0.7251
Entamoeba histolytica hypothetical protein 0.0038 0.061 1
Schistosoma mansoni importin beta-1 0.0029 0.0366 0.0398
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0366 0.5853
Brugia malayi MH2 domain containing protein 0.0118 0.2778 0.3453
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.008 0.176 0.176
Brugia malayi RNA binding protein 0.0065 0.1358 0.1687
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0029 0.0388 0.0388
Schistosoma mansoni ap endonuclease 0.0019 0.0095 0.0103
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1358 0.1358
Mycobacterium leprae Probable lipase LipE 0.0036 0.0558 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0095 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0558 1
Echinococcus multilocularis receptor type guanylyl cyclase 0.0029 0.0388 0.0388
Brugia malayi beta-lactamase family protein 0.0036 0.0558 0.0694
Echinococcus granulosus importin subunit beta 1 0.0029 0.0366 0.0366
Entamoeba histolytica Ran family GTPase 0.0021 0.0162 0.1304
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0366 0.5853
Onchocerca volvulus 0.0029 0.0388 0.4018
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.061 0.061
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0051 0.0965 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0867 0.0867
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0095 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0558 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0867 0.0942
Leishmania major importin beta-1 subunit, putative 0.0023 0.022 0.2699
Brugia malayi Receptor family ligand binding region containing protein 0.008 0.176 0.2187
Schistosoma mansoni tyrosine kinase 0.0029 0.0388 0.0421
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0558 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0558 0.0606
Plasmodium vivax importin-beta 2, putative 0.0029 0.0366 0.5853
Echinococcus granulosus carboxylesterase 5A 0.0072 0.1543 0.1543
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0558 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0029 0.0388 0.0482
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.022 0.2699
Loa Loa (eye worm) RNA binding protein 0.0065 0.1358 0.1358
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0558 0.0558
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0558 0.0606
Brugia malayi Receptor family ligand binding region containing protein 0.0029 0.0388 0.0482
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0355 0.9205 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0162 0.145
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0558 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0558 0.5
Echinococcus multilocularis acetylcholinesterase 0.0072 0.1543 0.1543
Brugia malayi metabotropic glutamate receptor type 2 0.0152 0.3713 0.4615
Echinococcus granulosus acetylcholinesterase 0.0072 0.1543 0.1543
Echinococcus granulosus tyrosine kinase 0.0029 0.0388 0.0388
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0072 0.1543 0.1677
Echinococcus granulosus glutamate receptor 2 0.0029 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0558 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0558 0.0818
Schistosoma mansoni metabotropic glutamate receptor 0.0152 0.3713 0.4034
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0162 0.145
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Brugia malayi beta-lactamase family protein 0.0036 0.0558 0.0694
Mycobacterium ulcerans beta-lactamase 0.0036 0.0558 1
Echinococcus granulosus nmda type glutamate receptor 0.0029 0.0388 0.0388
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0162 0.145
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0029 0.0388 0.0388
Brugia malayi Carboxylesterase family protein 0.0072 0.1543 0.1918
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0162 0.145
Brugia malayi RNA, U transporter 1 0.0081 0.1791 0.2226
Echinococcus granulosus receptor type guanylyl cyclase 0.0029 0.0388 0.0388
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.2778 0.2778
Echinococcus granulosus metabotropic glutamate receptor 2 0.0262 0.6674 0.6674
Loa Loa (eye worm) hypothetical protein 0.008 0.176 0.176
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0162 0.2477
Schistosoma mansoni hypothetical protein 0.0038 0.061 0.0663
Entamoeba histolytica hypothetical protein 0.0029 0.0388 0.5685
Loa Loa (eye worm) hypothetical protein 0.0036 0.0558 0.0558
Trichomonas vaginalis importin beta-1, putative 0.0023 0.022 0.2699
Echinococcus multilocularis glutamate receptor 2 0.0029 0.0388 0.0388
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.5761 1
Trichomonas vaginalis ran, putative 0.0021 0.0162 0.145
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1358 0.1358
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1358 0.1475
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0162 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0029 0.0388 0.0388
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.061 0.061
Schistosoma mansoni hypothetical protein 0.0305 0.7847 0.8524
Onchocerca volvulus 0.0036 0.0558 0.5785
Echinococcus multilocularis carboxylesterase 5A 0.0072 0.1543 0.1543
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.022 0.2699
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0388 0.0388
Schistosoma mansoni hypothetical protein 0.0167 0.4114 0.4469
Loa Loa (eye worm) RGC/RGC protein kinase 0.0029 0.0388 0.0388
Echinococcus granulosus glutamate receptor 2 0.0029 0.0388 0.0388
Echinococcus granulosus GPCR family 3 C terminal 0.0051 0.0965 0.0965
Loa Loa (eye worm) beta-lactamase 0.0036 0.0558 0.0558
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0558 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0388 0.0388
Loa Loa (eye worm) glutamate receptor 0.0313 0.8046 0.8046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0867 0.0942
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0029 0.0388 0.0388
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0029 0.0388 0.0388
Schistosoma mansoni tyrosine kinase 0.0029 0.0388 0.0421
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0867 0.0867
Leishmania major GTP-binding protein, putative 0.0021 0.0162 0.145
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0558 0.0558
Loa Loa (eye worm) hypothetical protein 0.0029 0.0388 0.0388
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0558 0.0818
Schistosoma mansoni ran 0.0021 0.0162 0.0176
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 0.5773 0.5773
Loa Loa (eye worm) hypothetical protein 0.0072 0.1543 0.1543
Echinococcus granulosus acetylcholinesterase 0.0072 0.1543 0.1543
Echinococcus multilocularis snurportin 1 0.0305 0.7847 0.7847
Schistosoma mansoni hypothetical protein 0.0167 0.4114 0.4469
Echinococcus multilocularis acetylcholinesterase 0.0072 0.1543 0.1543
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.061 0.0663
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0558 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0051 0.0965 0.1199
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0558 0.0818
Brugia malayi beta-lactamase 0.0036 0.0558 0.0694
Echinococcus multilocularis GPCR, family 3, C terminal 0.0051 0.0965 0.0965
Leishmania major extracellular receptor, putative 0.0029 0.0388 0.6322
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0558 0.0818
Mycobacterium tuberculosis Conserved protein 0.0036 0.0558 0.0818
Brugia malayi hypothetical protein 0.0029 0.0388 0.0482
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.008 0.176 0.176

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 18.4 % Activity at human GABAb 1A/2 receptor expressed in Xenopus oocytes assessed as whole cell current production at 300 uM by two electrode voltage clamp method relative to GABA ChEMBL. 18528996
Inhibition (binding) = 23.2 % Activity at human alpha-1-beta-2-gamma-2L GABAA receptor expressed in Xenopus oocytes assessed as inhibition of current production at 600 uM by two electrode voltage clamp method relative to GABA ChEMBL. 18528996
Kb (functional) = 7.24 uM Antagonist activity at human GABAc Rho1 receptor expressed in Xenopus oocytes assessed as whole cell current production by two electrode voltage clamp method ChEMBL. 18528996

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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