Detailed information for compound 996415

Basic information

Technical information
  • TDR Targets ID: 996415
  • Name: 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one
  • MW: 226.27 | Formula: C15H14O2
  • H donors: 1 H acceptors: 2 LogP: 3.69 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1O)CCc1ccccc1
  • InChi: 1S/C15H14O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
  • InChiKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2-hydroxyphenyl)-3-phenyl-propan-1-one
  • 3516-95-8
  • EINECS 222-521-4
  • 102288_ALDRICH
  • 2′-Hydroxy-3-phenylpropiophenone
  • 2'-Hydroxy-3-phenylpropiophenone
  • o-Hydroxy-.beta.-phenyl propiophenone

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
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0158 0.1989
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1989
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0312 0.3591 0.5116
Giardia lamblia DINP protein human, muc B family 0.002 0.0158 0.4482
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.0083
Leishmania major DNA polymerase eta, putative 0.002 0.0158 0.1989
Loa Loa (eye worm) hypothetical protein 0.002 0.0158 0.0226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0497 0.1311
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0497 0.0468
Mycobacterium tuberculosis Conserved protein 0.0074 0.0796 0.1201
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0796 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0497 0.1383
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0796 1
Mycobacterium ulcerans lipase LipD 0.0074 0.0796 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0497 0.1383
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1989
Mycobacterium ulcerans hypothetical protein 0.0074 0.0796 1
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0042
Onchocerca volvulus 0.0074 0.0796 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0796 0.0768
Loa Loa (eye worm) hypothetical protein 0.0603 0.7019 1
Echinococcus granulosus dna polymerase eta 0.002 0.0158 0.0361
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0497 0.1311
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0796 0.2216
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0074 0.0796 1
Mycobacterium ulcerans beta-lactamase 0.0074 0.0796 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1989
Schistosoma mansoni ran 0.0021 0.0181 0.0505
Onchocerca volvulus 0.0074 0.0796 0.5
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.0258
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.003 0.0083
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0353 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0796 0.1134
Plasmodium falciparum importin beta, putative 0.0029 0.0272 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0353 0.4438
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0353 0.0908
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0497 0.0708
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0158 0.0441
Echinococcus multilocularis dna polymerase eta 0.002 0.0158 0.0129
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0207 0.0762
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0181 0.2277
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0796 1
Brugia malayi NNMT/PNMT/TEMT family protein 0.0603 0.7019 1
Schistosoma mansoni hypothetical protein 0.0312 0.3591 1
Loa Loa (eye worm) hypothetical protein 0.0603 0.7019 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0497 0.1383
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.003 0.0042
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0181 0.0152
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.513
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1989
Leishmania major importin beta-1 subunit, putative 0.0024 0.0207 0.26
Echinococcus multilocularis snurportin 1 0.0312 0.3591 0.3572
Trypanosoma brucei unspecified product 0.0013 0.0087 0.1094
Toxoplasma gondii ABC1 family protein 0.0074 0.0796 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0074 0.0796 1
Mycobacterium tuberculosis Probable hydrolase 0.0074 0.0796 0.1201
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0471 0.5469 1
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0353 0.4438
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0497 0.0708
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0207 0.0762
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0074 0.0796 0.1201
Schistosoma mansoni DNA polymerase eta 0.002 0.0158 0.0441
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0353 0.0908
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0042
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0353 0.4438
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0796 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0796 0.1134
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0603 0.7019 1
Loa Loa (eye worm) beta-lactamase 0.0074 0.0796 0.1134
Brugia malayi beta-lactamase family protein 0.0074 0.0796 0.1134
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Echinococcus granulosus importin subunit beta 1 0.0029 0.0272 0.068
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0158 0.1989
Mycobacterium tuberculosis Conserved protein 0.0074 0.0796 0.1201
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0353 0.3057
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0158 0.0226
Mycobacterium ulcerans esterase/lipase LipP 0.0074 0.0796 1
Brugia malayi MH2 domain containing protein 0.0126 0.1411 0.2011
Brugia malayi beta-lactamase family protein 0.0074 0.0796 0.1134
Brugia malayi MH1 domain containing protein 0.0009 0.003 0.0042
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0087 0.1094
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0087 0.1094
Mycobacterium tuberculosis Conserved protein 0.0074 0.0796 0.1201
Brugia malayi beta-lactamase 0.0074 0.0796 0.1134
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0272 0.0243
Echinococcus multilocularis dna polymerase kappa 0.002 0.0158 0.0129
Entamoeba histolytica Ran family GTPase 0.0021 0.0181 0.1174
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.003 0.0042
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0181 0.2277
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0353 0.3057
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.0083
Brugia malayi RNA, U transporter 1 0.0083 0.0904 0.1288
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0158 0.0129
Schistosoma mansoni Smad4 0.0009 0.003 0.0083
Loa Loa (eye worm) hypothetical protein 0.0029 0.0272 0.0387
Trichomonas vaginalis esterase, putative 0.0074 0.0796 1
Schistosoma mansoni ran 0.0021 0.0181 0.0505
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0207 0.26
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.1411 0.2011
Leishmania major DNA polymerase kappa, putative 0.002 0.0158 0.1989
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0181 0.2277
Echinococcus granulosus dna polymerase kappa 0.002 0.0158 0.0361
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0158 0.0361
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0158 0.1989
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0796 0.2151
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.6668
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0158 0.0226
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0353 0.0324
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0796 1
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0796 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0087 0.1094
Loa Loa (eye worm) hypothetical protein 0.0036 0.0353 0.0503
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0158 0.1989
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Trichomonas vaginalis ran, putative 0.0021 0.0181 0.0359
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0353 0.0324
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Brugia malayi Smad1 0.0009 0.003 0.0042
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0074 0.0796 0.1201
Leishmania major GTP-binding protein, putative 0.0021 0.0181 0.2277
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0796 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0796 0.2216
Brugia malayi Importin beta-1 subunit 0.0029 0.0272 0.0387
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0272 0.3415
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0158 0.1989
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0353 1
Schistosoma mansoni smad 0.0009 0.003 0.0083
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0272 0.3415
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.1411 0.2011
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0353 0.0984
Mycobacterium tuberculosis Probable lipase LipE 0.0074 0.0796 0.1201
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Mycobacterium tuberculosis Probable esterase LipL 0.0074 0.0796 0.1201
Brugia malayi MH2 domain containing protein 0.0009 0.003 0.0042
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0353 0.3057
Mycobacterium leprae Probable lipase LipE 0.0074 0.0796 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1989
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0181 0.0425
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0074 0.0796 0.1201
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0181 0.0258
Loa Loa (eye worm) Smad1 0.0009 0.003 0.0042
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0272 0.3415
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0158 0.1989
Schistosoma mansoni smad1 5 8 and 0.0009 0.003 0.0083
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0497 0.0468
Trypanosoma brucei unspecified product 0.002 0.0158 0.1989
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0158 0.0226
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0181 0.2277
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0158 0.1989
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0353 0.0503
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0353 0.0984
Loa Loa (eye worm) hypothetical protein 0.0074 0.0796 0.1134
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Entamoeba histolytica hypothetical protein 0.0024 0.0207 0.2492
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0353 0.0908
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Plasmodium vivax importin-beta 2, putative 0.0029 0.0272 0.3415
Trypanosoma brucei unspecified product 0.0013 0.0087 0.1094
Schistosoma mansoni importin beta-1 0.0029 0.0272 0.0757
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0796 0.5
Echinococcus granulosus snurportin 1 0.0312 0.3591 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0207 0.0762
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Mycobacterium tuberculosis Probable lipase LipD 0.0074 0.0796 0.1201
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0353 0.0324
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0158 0.0441
Trichomonas vaginalis D-aminoacylase, putative 0.0074 0.0796 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0181 0.2277
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0158 0.1989
Onchocerca volvulus 0.0074 0.0796 0.5
Leishmania major hypothetical protein, conserved 0.0074 0.0796 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0353 0.4438

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 100 uM Binding affinity to human recombinant CNT3 expressed in pig PK15NTD cells assessed as [3H]uridine uptake by beta-scintillation counter ChEMBL. 19097778

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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