Detailed information for compound 1403576

Basic information

Technical information
  • TDR Targets ID: 1403576
  • Name: (formyl-methylamino)methyl-(piperidin-1-ylmet hyl)phosphinic acid
  • MW: 234.233 | Formula: C9H19N2O3P
  • H donors: 1 H acceptors: 3 LogP: -2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=CN(CP(=O)(CN1CCCCC1)O)C
  • InChi: 1S/C9H19N2O3P/c1-10(7-12)8-15(13,14)9-11-5-3-2-4-6-11/h7H,2-6,8-9H2,1H3,(H,13,14)
  • InChiKey: MIHUWVHVRNVIAO-UHFFFAOYSA-N  

Network

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Synonyms

  • (formyl-methyl-amino)methyl-(1-piperidylmethyl)phosphinic acid
  • (formyl-methylamino)methyl-(1-piperidylmethyl)phosphinic acid
  • (formyl-methyl-amino)methyl-(piperidinomethyl)phosphinic acid
  • (methanoyl-methyl-amino)methyl-(piperidin-1-ylmethyl)phosphinic acid
  • MLS000554795
  • SMR000146912
  • [(Formyl-methyl-amino)-methyl]-piperidin-1-ylmethyl-phosphinic acid
  • ChemDiv3_003669
  • IDI1_021579
  • Oprea1_707638
  • STK094813

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423

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 hypothetical protein 0.007 0.02 0.02
Echinococcus granulosus presenilin enhancer 2 0.0187 0.1179 0.1179
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1419 0.552
Echinococcus multilocularis presenilin enhancer 2 0.0187 0.1179 0.1179
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0199 0.1281 0.4753
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0199 0.1281 0.1281
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0187 0.1179 0.1179
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Loa Loa (eye worm) presenilin spe-4 0.007 0.02 0.02
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Brugia malayi hypothetical protein 0.007 0.02 0.02
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.2222 0.2222
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0199 0.1281 0.3338
Brugia malayi Presenilin spe-4 0.007 0.02 0.02
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0199 0.1281 1
Echinococcus granulosus Nicastrin 0.0097 0.0428 0.0428
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Echinococcus multilocularis Nicastrin 0.0097 0.0428 0.0428
Echinococcus multilocularis presenilin 0.0199 0.1281 0.1281
Brugia malayi Presenilin family protein 0.0199 0.1281 0.1281
Brugia malayi Presenilin spe-4 0.007 0.02 0.02
Brugia malayi gamma-secretase subunit pen-2 0.0187 0.1179 0.1179
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0199 0.1281 0.4753
Trypanosoma cruzi Aph-1 protein, putative 0.0484 0.3663 1
Echinococcus multilocularis Nicastrin 0.0097 0.0428 0.0428
Loa Loa (eye worm) hypothetical protein 0.0097 0.0428 0.0428
Trypanosoma brucei Aph-1 protein, putative 0.0484 0.3663 1
Entamoeba histolytica presenilin 1 peptidase, putative 0.0199 0.1281 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Schistosoma mansoni hypothetical protein 0.0097 0.0428 0.0428
Brugia malayi hypothetical protein 0.007 0.02 0.02
Brugia malayi Presenilin spe-4 0.007 0.02 0.02
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0199 0.1281 0.4753
Brugia malayi Presenilin-like protein At2g29900 0.007 0.02 0.02
Brugia malayi hypothetical protein 0.0097 0.0428 0.0428
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1
Echinococcus granulosus presenilin 0.0199 0.1281 0.1281
Brugia malayi hypothetical protein 0.0097 0.0428 0.0428
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1327 0.5
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.2222 0.2222
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.1327 0.5007
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.1419 0.552
Toxoplasma gondii hypothetical protein 0.007 0.02 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1
Trypanosoma cruzi Aph-1 protein, putative 0.0484 0.3663 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.2222 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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