Detailed information for compound 186602

Basic information

Technical information
  • TDR Targets ID: 186602
  • Name: 3-aminopropyl(tert-butyl)phosphinic acid
  • MW: 179.197 | Formula: C7H18NO2P
  • H donors: 2 H acceptors: 2 LogP: -2.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCP(=O)(C(C)(C)C)O
  • InChi: 1S/C7H18NO2P/c1-7(2,3)11(9,10)6-4-5-8/h4-6,8H2,1-3H3,(H,9,10)
  • InChiKey: VIBQEGACMHQJPJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-azanylpropyl(tert-butyl)phosphinic acid
  • PDSP1_000413
  • PDSP2_000411

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
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Brugia malayi Casein kinase II, alpha chain 0.0958 0.4072 0.4072
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0547 0.2192 0.2192
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Trypanosoma brucei Casein kinase II 0.0958 0.4072 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.2253 1 1
Mycobacterium leprae Possible transporter protein 0.0088 0.009 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0317 0.1139 0.1139
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0317 0.1139 0.1139
Echinococcus multilocularis casein kinase ii subunit alpha 0.0958 0.4072 0.4072
Loa Loa (eye worm) CAMK/CAMKL/PASK protein kinase 0.0889 0.3759 0.3759
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0088 0.009 0.009
Plasmodium vivax unspecified product 0.0958 0.4072 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.009 0.009
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0958 0.4072 0.5
Echinococcus granulosus voltage gated potassium channel 0.0088 0.009 0.009
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Echinococcus granulosus casein kinase ii subunit alpha 0.0958 0.4072 0.4072
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.009 0.009
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.009 0.009
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0958 0.4072 0.4072
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0088 0.009 0.009
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.2253 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0088 0.009 0.009
Loa Loa (eye worm) CAMK/PIM protein kinase 0.2253 1 1
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0088 0.009 0.009
Plasmodium falciparum casein kinase 2, alpha subunit 0.0958 0.4072 0.5
Echinococcus granulosus single minded 2 0.0088 0.009 0.009
Schistosoma mansoni 60S ribosomal protein L21 0.0088 0.009 0.009
Leishmania major casein kinase II, putative 0.0958 0.4072 0.5
Schistosoma mansoni protein kinase 0.0958 0.4072 0.4072
Schistosoma mansoni hypothetical protein 0.0088 0.009 0.009
Trypanosoma cruzi casein kinase II, putative 0.0958 0.4072 0.5
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0572 0.2306 0.2306
Schistosoma mansoni serine/threonine protein kinase 0.2253 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0088 0.009 0.009
Entamoeba histolytica protein kinase domain containing protein 0.0958 0.4072 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.2253 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.2253 1 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.2253 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0958 0.4072 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0088 0.009 0.009
Giardia lamblia Kinase, CMGC CK2 0.0958 0.4072 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0088 0.009 0.009
Entamoeba histolytica casein kinase, putative 0.0958 0.4072 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0958 0.4072 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 73 uM Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex. ChEMBL. 7650685
IC50 (binding) = 73 uM Inhibition of binding of [3H]-CGP-27,492 to gamma-aminobutyric acid type B receptor of rat cortex. ChEMBL. 7650685

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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