TDR Targets

Basic information

Technical information

TDR Targets ID: 213620
Name: [1-hydroxy-3-(methylamino)-1-phosphonopropyl] phosphonic acid
MW: 249.096 | Formula: C4H13NO7P2
H donors: 6 H acceptors: 7 LogP: -6.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CNCCC(P(=O)(O)O)(P(=O)(O)O)O
InChi: 1S/C4H13NO7P2/c1-5-3-2-4(6,13(7,8)9)14(10,11)12/h5-6H,2-3H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChiKey: APAXCKPITWPINA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

[1-hydroxy-3-(methylamino)-1-phosphono-propyl]phosphonic acid
(1-hydroxy-3-methylamino-1-phosphonopropyl)phosphonic acid
(1-hydroxy-3-methylamino-1-phosphono-propyl)phosphonic 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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0062	0.1867	0.1231
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0032	0.0863	0.0863
Mycobacterium ulcerans	polyprenyl diphosphate synthetase, GrcC1	0.0062	0.1867	0.1141
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0062	0.1867	1
Onchocerca volvulus		0.0311	1	0.5
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0062	0.1867	0.1231
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Giardia lamblia	Farnesyl diphosphate synthase	0.0248	0.7936	1
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.0062	0.1867	0.1472
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Loa Loa (eye worm)	polyprenyl synthetase	0.0248	0.7936	0.778
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Schistosoma mansoni	hypothetical protein	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0311	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.0062	0.1867	0.1472
Schistosoma mansoni	glutathione synthetase	0.0062	0.1867	0.1231
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0062	0.1867	0.5
Trypanosoma cruzi	polyprenyl synthase, putative	0.0062	0.1867	0.1472
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.7936	1
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Brugia malayi	Trypsin-like protease protein 5	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Onchocerca volvulus		0.0311	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0311	1	1
Onchocerca volvulus		0.0311	1	0.5
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0062	0.1867	0.1867
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0031	0.084	0.0022
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0062	0.1867	0.1472
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.5
Echinococcus granulosus	glycoprotein Antigen 5	0.0311	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1476	0.0715
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0062	0.1867	1
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0248	0.7936	1
Leishmania major	polyprenyl synthase, putative	0.0062	0.1867	0.1472
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0248	0.7936	1
Onchocerca volvulus		0.0311	1	0.5
Brugia malayi	Trypsin family protein	0.0311	1	1
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0031	0.0819	0.0102
Brugia malayi	Trypsin family protein	0.0311	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Leishmania major	farnesyl pyrophosphate synthase	0.0248	0.7936	1
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0062	0.1867	1
Schistosoma mansoni	trans-prenyltransferase	0.0062	0.1867	0.1231
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1476	0.0809
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0311	1	1
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.1231
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0062	0.1867	0.1472
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0031	0.0819	0.0102
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.0062	0.1867	0.1253
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0248	0.7936	0.7774
Loa Loa (eye worm)	trypsin family protein	0.0311	1	1
Loa Loa (eye worm)	hypothetical protein	0.0311	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Treponema pallidum	octaprenyl-diphosphate synthase	0.0062	0.1867	1
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.5
Echinococcus granulosus	Mastin	0.0311	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1476	0.1476
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Echinococcus multilocularis	fk506 binding protein	0.0031	0.0819	0.0819
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.0062	0.1867	0.1141
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0311	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1476	0.0809
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0248	0.7936	1
Schistosoma mansoni	immunophilin	0.0032	0.0863	0.0148
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0311	1	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0311	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1476	0.0809
Trypanosoma cruzi	polyprenyl synthase, putative	0.0062	0.1867	0.1472
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.7936	1
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0311	1	1
Onchocerca volvulus		0.0311	1	0.5
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0062	0.1867	0.1472
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0032	0.0863	0.0148
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1476	0.0809
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0248	0.7936	1
Echinococcus granulosus	enteropeptidase	0.0311	1	1
Brugia malayi	hypothetical protein	0.0311	1	1
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0248	0.7936	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Brugia malayi	Polyprenyl synthetase family protein	0.0062	0.1867	0.1141
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0248	0.7936	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1476	0.0809
Schistosoma mansoni	hypothetical protein	0.0311	1	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0028	0.0725	0.0725
Mycobacterium ulcerans	polyprenyl synthetase IdsB	0.0062	0.1867	0.1141
Onchocerca volvulus		0.0311	1	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.1867
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0062	0.1867	0.1867
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.5
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	0.7936	0.7752
Echinococcus multilocularis	Mastin	0.0311	1	1
Echinococcus multilocularis	enteropeptidase	0.0311	1	1
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0248	0.7936	1
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0248	0.7936	0.7774
Loa Loa (eye worm)	FKBP5 protein	0.0031	0.0819	0.0126
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0031	0.0819	0.0126
Mycobacterium ulcerans	hypothetical protein	0.0311	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1476	0.0832
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.0062	0.1867	0.1231
Leishmania major	solanesyl-diphosphate synthase, putative	0.0062	0.1867	0.1472
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0248	0.7936	1
Brugia malayi	Polyprenyl synthetase family protein	0.0248	0.7936	0.7752
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.0062	0.1867	0.1472
Echinococcus granulosus	transmembrane protease serine 3	0.0311	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0311	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0311	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1476	0.1476
Schistosoma mansoni	immunophilin	0.0032	0.0863	0.0148
Loa Loa (eye worm)	polyprenyl synthetase	0.0062	0.1867	0.1253
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0248	0.7936	0.7752
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0248	0.7936	0.7936
Brugia malayi	Trypsin family protein	0.0311	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	~ 15 ug kg-1	Effective dose after subcutaneous administration to TPTX rats for 50% reduction of hypercalcemia	ChEMBL.	12166945

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

PubChem: 11139509

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 213620