Detailed information for compound 184586

Basic information

Technical information
  • TDR Targets ID: 184586
  • Name: 3-aminopropyl(difluoromethyl)phosphinic acid
  • MW: 173.098 | Formula: C4H10F2NO2P
  • H donors: 2 H acceptors: 2 LogP: -3.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCP(=O)(C(F)F)O
  • InChi: 1S/C4H10F2NO2P/c5-4(6)10(8,9)3-1-2-7/h4H,1-3,7H2,(H,8,9)
  • InChiKey: TXAHGWWWANKBDA-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-azanylpropyl(difluoromethyl)phosphinic acid
  • 3-aminopropyl-(difluoromethyl)phosphinic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus GABA B receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi metabotropic GABA-B receptor subtype 2 Get druggable targets OG5_132263 All targets in OG5_132263
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 Get druggable targets OG5_132263 All targets in OG5_132263

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 Inorganic phosphate transporter, putative 0.0294 1 1
Echinococcus multilocularis solute carrier family 13 0.0294 1 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0226 0.7549 0.7549
Trichomonas vaginalis Inorganic phosphate transporter, putative 0.0294 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1
Schistosoma mansoni sodium/dicarboxylate cotransporter-related 0.0294 1 1
Chlamydia trachomatis dicarboxylate translocator 0.0131 0.414 0.5
Trypanosoma cruzi Low-affinity phosphate transporter PHO91 0.0163 0.5297 0.5
Echinococcus multilocularis solute carrier family 13 0.0294 1 1
Echinococcus multilocularis solute carrier family 13 0.0294 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1
Echinococcus granulosus solute carrier family 13 0.0294 1 1
Echinococcus granulosus solute carrier family 13 0.0294 1 1
Trichomonas vaginalis sodium-dependent high-affinity dicarboxylate transporter, putative 0.0294 1 1
Loa Loa (eye worm) hypothetical protein 0.0294 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1
Echinococcus granulosus solute carrier family 13 0.0294 1 1
Leishmania major sodium/sulphate symporter, putative 0.0294 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1
Schistosoma mansoni hypothetical protein 0.0163 0.5297 0.5297
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0232 0.7755 0.7755
Trichomonas vaginalis conserved hypothetical protein 0.0294 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 22 uM kg-1 Deterioration of rotarod performance of rats 0.5-1 hour after subcutaneous administration of compound ChEMBL. 7650684
EC50 (functional) = 101 uM kg-1 Deterioration of rotarod performance of rats 1.-2 hour after subcutaneous administration of compound ChEMBL. 7650684
IC50 (binding) = 0.089 uM Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex ChEMBL. 7650684
IC50 (binding) = 0.089 uM Inhibition of [3H]-CGP-27,492 binding to Gamma-aminobutyric acid type B receptor of rat cortex ChEMBL. 7650684
IC50 (functional) = 10.6 uM The compound was tested for inhibition of release of [3H]-GABA from rat cortical slices after electrical stimulation. ChEMBL. 7650684

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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