Detailed information for compound 176300

Basic information

Technical information
  • TDR Targets ID: 176300
  • Name: benzhydrylphosphonic acid
  • MW: 248.214 | Formula: C13H13O3P
  • H donors: 2 H acceptors: 3 LogP: 1.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OP(=O)(C(c1ccccc1)c1ccccc1)O
  • InChi: 1S/C13H13O3P/c14-17(15,16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H2,14,15,16)
  • InChiKey: JDRCQIRZJMJGMW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • di(phenyl)methylphosphonic acid
  • Oprea1_161449

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
Brugia malayi Cathepsin L-like precursor 0.0102 0.0235 0.4556
Schistosoma mansoni cathepsin F (C01 family) 0.0149 0.0404 0.0373
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0404 0.7979
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0157 0.0126
Onchocerca volvulus 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0157 0.0238
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Giardia lamblia Dipeptidyl-peptidase I precursor 0.1113 0.3787 0.3696
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0404 0.7979
Trypanosoma cruzi cruzipain precursor, putative 0.0149 0.0404 0.7979
Schistosoma mansoni cathepsin s 0.0048 0.0047 0.0016
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0235 0.0365
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0076 0.0145 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Loa Loa (eye worm) hypothetical protein 0.0048 0.0047 0.0949
Loa Loa (eye worm) hypothetical protein 0.0048 0.0047 0.0949
Leishmania major cysteine peptidase A (CPA) 0.0149 0.0404 1
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0149 0.0404 0.0251
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.2881 1 1
Echinococcus multilocularis cysteine protease 0.0149 0.0404 0.8099
Entamoeba histolytica cysteine protease, putative 0.0149 0.0404 1
Giardia lamblia Encystation-specific protease 0.1113 0.3787 0.3696
Loa Loa (eye worm) fibroinase 0.0149 0.0404 0.817
Plasmodium vivax vivapain-1 0.0079 0.0157 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.2881 1 1
Onchocerca volvulus Cathepsin L homolog 0.0149 0.0404 1
Onchocerca volvulus 0.0149 0.0404 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Echinococcus multilocularis cathepsin b 0.0175 0.0494 1
Toxoplasma gondii cathepsin CPL 0.0149 0.0404 0.0263
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0048 0.0047 0.0597
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0149 0.0404 0.0251
Echinococcus multilocularis cathepsin L cysteine protease 0.0149 0.0404 0.8099
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0157 0.2903
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0175 0.0494 1
Brugia malayi Cathepsin L-like precursor 0.0102 0.0235 0.4556
Plasmodium vivax vivapain-2 0.0149 0.0404 0.0358
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0235 0.476
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0157 0.2453
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0047 0.0949
Loa Loa (eye worm) hypothetical protein 0.0149 0.0404 0.817
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0048 0.0047 0.0949
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Loa Loa (eye worm) cysteine protease 0.0149 0.0404 0.817
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Onchocerca volvulus 0.0149 0.0404 1
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.1113 0.3787 0.3758
Onchocerca volvulus 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Brugia malayi Cathepsin L-like cysteine proteinase 0.0102 0.0235 0.4556
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0404 0.7979
Toxoplasma gondii preprocathepsin c precursor, putative 0.2881 1 1
Brugia malayi cathepsin L-like precursor 0.0102 0.0235 0.4556
Echinococcus multilocularis cathepsin b 0.0175 0.0494 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0149 0.0404 0.8099
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Echinococcus granulosus cathepsin l1 0.0149 0.0404 0.8099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0149 0.0404 0.817
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0102 0.0235 0.4211
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0149 0.0404 0.0251
Toxoplasma gondii cathepsin CPC1 0.2881 1 1
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0149 0.0404 0.0637
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.1113 0.3787 0.3688
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0157 0.0463
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Onchocerca volvulus 0.0149 0.0404 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0235 0.476
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0157 0.0126
Loa Loa (eye worm) ctsf protein 0.0149 0.0404 0.817
Trypanosoma cruzi cysteine peptidase, putative 0.0149 0.0404 0.7979
Giardia lamblia Dipeptidyl-peptidase I precursor 0.1113 0.3787 0.3696
Brugia malayi cathepsin B-like cysteine proteinase 0.0175 0.0494 1
Onchocerca volvulus Cathepsin L homolog 0.0149 0.0404 1
Brugia malayi Cathepsin L-like precursor 0.0149 0.0404 0.8099
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0079 0.0157 0.2453
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0149 0.0404 0.8099
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Loa Loa (eye worm) hypothetical protein 0.0102 0.0235 0.476
Echinococcus granulosus cathepsin L cysteine proteinase 0.0149 0.0404 0.8099
Trypanosoma cruzi cysteine peptidase, putative 0.0079 0.0157 0.2453
Plasmodium vivax vivapain-3 0.0079 0.0157 0.011
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Echinococcus granulosus cathepsin b 0.0175 0.0494 1
Echinococcus granulosus cysteine protease 0.0079 0.0157 0.2903
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0149 0.0404 0.8099
Brugia malayi Cathepsin L-like precursor 0.0048 0.0047 0.0597
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.0018 0.0374
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Loa Loa (eye worm) cathepsin B 0.0076 0.0145 0.2926
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 0.0494 0.0464
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Brugia malayi Papain family cysteine protease containing protein 0.0079 0.0157 0.2903
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Entamoeba histolytica cysteine proteinase, putative 0.0149 0.0404 1
Leishmania major cathepsin L-like protease 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0079 0.0157 0.0238
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0149 0.0404 0.0637
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0079 0.0157 0.0463
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 0.0494 0.0464
Echinococcus granulosus cathepsin L 0.0079 0.0157 0.2903
Onchocerca volvulus Cathepsin F homolog 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0102 0.0235 0.0365
Loa Loa (eye worm) hypothetical protein 0.0175 0.0494 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Echinococcus granulosus cathepsin b 0.0175 0.0494 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Schistosoma mansoni cathepsin F (C01 family) 0.0149 0.0404 0.0373
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Echinococcus granulosus cathepsin L cysteine protease 0.0079 0.0157 0.2903
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0175 0.0494 0.0464
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0076 0.0145 0.0218
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0149 0.0404 0.0637
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.18 0.6201 1
Onchocerca volvulus 0.0149 0.0404 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Trypanosoma cruzi cysteine protease, putative 0.0079 0.0157 0.2453
Brugia malayi cathepsin F-like cysteine proteinase 0.0048 0.0047 0.0597
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.2881 1 1
Echinococcus multilocularis cysteine protease 0.0149 0.0404 0.8099
Toxoplasma gondii cathepsin CPC2 0.1113 0.3787 0.3696
Echinococcus granulosus cathepsin l1 0.0102 0.0235 0.4556
Schistosoma mansoni cathepsin F (C01 family) 0.0102 0.0235 0.0204
Trypanosoma cruzi cysteine proteinase, putative 0.0079 0.0157 0.2453
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0149 0.0404 0.817
Entamoeba histolytica cysteine proteinase, putative 0.0102 0.0235 0.3182
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.2881 1 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0149 0.0404 0.8099
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.2881 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0149 0.0404 0.8099
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0149 0.0404 0.0637
Echinococcus multilocularis cathepsin L 0.0079 0.0157 0.2903
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0175 0.0494 0.0464
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0149 0.0404 1
Plasmodium vivax vivapain-2 0.0149 0.0404 0.0358
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0079 0.0157 0.0126
Plasmodium vivax unspecified product 0.0079 0.0157 0.011
Onchocerca volvulus 0.0149 0.0404 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0076 0.0145 0.2185

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 142 uM Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate ChEMBL. No reference
IC50 (binding) = 142 uM Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate ChEMBL. No reference

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

No literature references available for this target.

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