TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 164.096 | Formula: C5H9O4P
H donors: 2 H acceptors: 4 LogP: -1.45 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1CCP(=O)(C1)O
InChi: 1S/C5H9O4P/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)(H,8,9)
InChiKey: DKHMOFPEVFYDBP-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

No synonyms found for this compound

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Schistosoma mansoni	hypothetical protein	0.0164	0.4305	0.4305
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0042	0.0609	1
Brugia malayi	Cathepsin L-like precursor	0.0028	0.0194	0.0194
Onchocerca volvulus		0.0042	0.0609	0.2024
Leishmania major	cathepsin L-like protease	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0042	0.0609	0.0424
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0042	0.0609	0.0424
Trypanosoma cruzi	major cysteine proteinase, putative	0.0058	0.1098	0.5172
Onchocerca volvulus		0.0096	0.2247	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0042	0.0609	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0042	0.0609	1
Toxoplasma gondii	cathepsin CPL	0.0042	0.0609	0.5
Brugia malayi	Cathepsin L-like precursor	0.0028	0.0194	0.0194
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Brugia malayi	cathepsin L-like precursor	0.0028	0.0194	0.0194
Plasmodium vivax	vivapain-2	0.0042	0.0609	1
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Schistosoma mansoni	hypothetical protein	0.0164	0.4305	0.4305
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Onchocerca volvulus		0.0042	0.0609	0.2024
Schistosoma mansoni	retinoic acid receptor RXR	0.0211	0.5731	0.5731
Onchocerca volvulus		0.0096	0.2247	1
Entamoeba histolytica	cysteine proteinase, putative	0.0042	0.0609	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Onchocerca volvulus		0.0042	0.0609	0.2024
Onchocerca volvulus		0.0042	0.0609	0.2024
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Echinococcus multilocularis	geminin	0.0164	0.4305	0.4305
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0078	0.1707	0.8043
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0042	0.0609	1
Onchocerca volvulus		0.0042	0.0609	0.2024
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.2247	0.2247
Plasmodium vivax	vivapain-2	0.0042	0.0609	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Onchocerca volvulus		0.0096	0.2247	1
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0042	0.0609	0.0609
Entamoeba histolytica	cysteine proteinase, putative	0.0028	0.0194	0.3182
Loa Loa (eye worm)	fibroinase	0.0042	0.0609	0.0424
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.2247	0.2247
Trypanosoma cruzi	cysteine peptidase, putative	0.0042	0.0609	0.287
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0042	0.0609	1
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Brugia malayi	Common central domain of tyrosinase family protein	0.0096	0.2247	0.2247
Trypanosoma cruzi	cysteine peptidase, putative	0.0092	0.2123	1
Echinococcus multilocularis	cysteine protease	0.0042	0.0609	0.0609
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0042	0.0609	0.0609
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Loa Loa (eye worm)	tyrosinase 1	0.0096	0.2247	0.2093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0042	0.0609	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2247	0.2093
Schistosoma mansoni	cathepsin F (C01 family)	0.0042	0.0609	0.0609
Brugia malayi	ShTK domain containing protein	0.0096	0.2247	0.2247
Loa Loa (eye worm)	ctsf protein	0.0042	0.0609	0.0424
Brugia malayi	Cathepsin L-like precursor	0.0042	0.0609	0.0609
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0028	0.0194	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0028	0.0194	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Echinococcus multilocularis	cysteine protease	0.0042	0.0609	0.0609
Loa Loa (eye worm)	cysteine protease	0.0042	0.0609	0.0424
Trypanosoma cruzi	cysteine peptidase, putative	0.0092	0.2123	1
Brugia malayi	Papain family cysteine protease containing protein	0.0042	0.0609	0.0609
Schistosoma mansoni	tyrosinase precursor	0.0096	0.2247	0.2247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Onchocerca volvulus		0.0096	0.2247	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0609	0.0424
Onchocerca volvulus		0.0042	0.0609	0.2024
Loa Loa (eye worm)	ShTK domain-containing protein	0.0096	0.2247	0.2093
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0096	0.2247	0.2247
Echinococcus granulosus	cathepsin l1	0.0028	0.0194	0.0194
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0203	0.5491	0.5491
Loa Loa (eye worm)	ShTK domain-containing protein	0.0096	0.2247	0.2093
Leishmania major	cathepsin L-like protease	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Leishmania major	cathepsin L-like protease	0.0092	0.2123	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Entamoeba histolytica	cysteine protease, putative	0.0042	0.0609	1
Onchocerca volvulus	Cathepsin L homolog	0.0042	0.0609	0.2024
Trypanosoma cruzi	cruzipain precursor, putative	0.0092	0.2123	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0042	0.0609	0.0609
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0096	0.2247	0.2247
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Onchocerca volvulus	Cathepsin F homolog	0.0042	0.0609	0.2024
Echinococcus multilocularis	cathepsin L cysteine protease	0.0042	0.0609	0.0609
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0042	0.0609	0.0609
Echinococcus multilocularis	cathepsin L cysteine protease	0.0042	0.0609	0.0609
Schistosoma mansoni	tyrosinase precursor	0.0096	0.2247	0.2247
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.2247	0.2093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0042	0.0609	1
Onchocerca volvulus		0.0042	0.0609	0.2024
Entamoeba histolytica	cysteine proteinase, putative	0.0042	0.0609	1
Echinococcus granulosus	cathepsin l1	0.0042	0.0609	0.0609
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0092	0.2123	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0028	0.0194	0.0194
Onchocerca volvulus	Cathepsin L homolog	0.0042	0.0609	0.2024
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Echinococcus granulosus	geminin	0.0164	0.4305	0.4305
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0042	0.0609	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0028	0.0194	0.0194
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0211	0.5731	0.5731

Activities

Activity type	Assay description	Source	Reference
Inhibition (functional)	Antagonist activity at human recombinant GABAA alpha1beta2gamma2L receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current at 100 uM by two electrode voltage clamp technique	ChEMBL.	24900248
Inhibition (functional)	Antagonist activity at human recombinant GABAc rho-1 receptor expressed in Xenopus laevis oocytes assessed as inhibition of GABA-induced current at 100 uM by two electrode voltage clamp technique	ChEMBL.	24900248
Inhibition (functional)	Antagonist activity at human recombinant GABAb 1b/2 receptor expressed in Xenopus laevis oocytes co-expressing GIRK1/4 assessed as inhibition of GABA-induced current at 100 uM by two electrode voltage clamp technique	ChEMBL.	24900248

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

ChEMBL: CHEMBL1672297

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 1504792