Detailed information for compound 282525

Basic information

Technical information
  • TDR Targets ID: 282525
  • Name: 6,8-dibenzyl-5,7-dihydroxy-2-phenylchromen-4- one
  • MW: 434.483 | Formula: C29H22O4
  • H donors: 2 H acceptors: 3 LogP: 6.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1c(Cc2ccccc2)c(O)c2c(c1Cc1ccccc1)oc(cc2=O)c1ccccc1
  • InChi: 1S/C29H22O4/c30-24-18-25(21-14-8-3-9-15-21)33-29-23(17-20-12-6-2-7-13-20)27(31)22(28(32)26(24)29)16-19-10-4-1-5-11-19/h1-15,18,31-32H,16-17H2
  • InChiKey: HNIGGLXVHQTWRB-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6,8-dibenzyl-5,7-dihydroxy-2-phenyl-chromen-4-one
  • 6,8-dibenzyl-5,7-dihydroxy-2-phenyl-1-benzopyran-4-one
  • 5,7-dihydroxy-2-phenyl-6,8-bis(phenylmethyl)chromen-4-one
  • 6,8-dibenzyl-5,7-dihydroxy-2-phenyl-chromone
  • 5,7-dihydroxy-2-phenyl-6,8-bis(phenylmethyl)-4-chromenone
  • 6,8-bis(benzyl)-5,7-dihydroxy-2-phenyl-chromone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATP-binding cassette, sub-family B (MDR/TAP), member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis taga, putative Get druggable targets OG5_126596 All targets in OG5_126596
Onchocerca volvulus Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum ATP-binding cassette, sub-family B (MDR/TAP), member 4, related Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Candida albicans potential ABC transporter similar to S. cerevisiae STE6 (YKL209C) involved in peptide pheromone export Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ko:K05659 ATP-binding cassette, subfamily B (MDR/TAP), member 4, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania mexicana p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni smdr2 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania braziliensis p-glycoprotein-like protein,ABC transporter-like protein,multidrug resistance protein-like protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum ATP-binding cassette sub-family B member 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ATP-binding cassette transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium berghei multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium yoelii multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis abcb9, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium vivax multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium parvum ATP-binding cassette transporter Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 3, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium falciparum multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus 5'partial|ATP binding cassette sub family B Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glyco protein 6, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, half transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania donovani ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Cryptosporidium hominis ATP-binding cassette protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-5 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP Get druggable targets OG5_126596 All targets in OG5_126596
Brugia malayi ABC transporter family protein Get druggable targets OG5_126596 All targets in OG5_126596
Leishmania infantum p-glycoprotein Get druggable targets OG5_126596 All targets in OG5_126596
Chlamydia trachomatis ABC transporter ATP binding protein/permease Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein 5, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Neospora caninum hypothetical protein Get druggable targets OG5_126596 All targets in OG5_126596
Plasmodium knowlesi multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis multidrug resistance protein 1, 2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) multidrug resistance protein 3 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis ABC transporter, putative Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus multilocularis multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-2 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma mansoni multidrug resistance protein Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Bile salt export pump, putative Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Entamoeba histolytica P-glycoprotein-1 Get druggable targets OG5_126596 All targets in OG5_126596
Echinococcus granulosus multidrug resistance protein 1 Get druggable targets OG5_126596 All targets in OG5_126596
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative Get druggable targets OG5_126596 All targets in OG5_126596
Schistosoma japonicum Multidrug resistance protein 1, putative Get druggable targets OG5_126596 All targets in OG5_126596
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 Get druggable targets OG5_126596 All targets in OG5_126596

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 tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0115 0.299 0.8002
Toxoplasma gondii ribonuclease HI protein 0.0095 0.2394 1
Trypanosoma brucei ingi protein (ORF1) 0.0103 0.2629 0.2407
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0292 0.1221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0292 0.1221
Trypanosoma brucei RNA helicase, putative 0.0356 1 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0023 0.0292 0.0292
Treponema pallidum fructose-bisphosphate aldolase 0.0288 0.8038 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0023 0.0292 0.0649
Trypanosoma brucei hypothetical protein, conserved 0.0103 0.2629 0.2407
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0141 0.3736 1
Schistosoma mansoni hypothetical protein 0.0167 0.4504 0.4504
Loa Loa (eye worm) hypothetical protein 0.0023 0.0292 1
Onchocerca volvulus Ribonuclease H1 homolog 0.0095 0.2394 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0115 0.299 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Echinococcus granulosus ribonuclease H1 0.0095 0.2394 0.5316
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.8038 1
Trypanosoma brucei ingi protein (ORF1) 0.0103 0.2629 0.2407
Brugia malayi RNase H family protein 0.0095 0.2394 1
Leishmania major ribonuclease H1, putative 0.0095 0.2394 1
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0023 0.0292 0.1221
Trypanosoma brucei unspecified product 0.0103 0.2629 0.2407
Trypanosoma brucei ribonuclease H1 0.0095 0.2394 0.2165
Echinococcus multilocularis L aminoadipate semialdehyde 0.0023 0.0292 0.0649
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0288 0.8038 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0141 0.3736 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0288 0.8038 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0115 0.299 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0103 0.2629 0.2407
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0115 0.299 1
Trypanosoma cruzi ribonuclease H1, putative 0.0095 0.2394 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0095 0.2394 0.2979
Schistosoma mansoni phosphoglucomutase 0.0095 0.2394 0.2394
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Schistosoma mansoni phosphoglucomutase 0.0095 0.2394 0.2394
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0292 0.1221
Echinococcus multilocularis geminin 0.0167 0.4504 1
Schistosoma mansoni phosphoglucomutase 0.0095 0.2394 0.2394
Brugia malayi RNase H family protein 0.0095 0.2394 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0115 0.299 0.1055
Mycobacterium leprae HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE 0.0093 0.2326 0.5905
Entamoeba histolytica hypothetical protein 0.0023 0.0292 0.0364
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0141 0.3736 1
Trypanosoma cruzi ribonuclease H1, putative 0.0095 0.2394 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.4504 0.4504
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0115 0.299 0.7832
Brugia malayi RNase H family protein 0.0095 0.2394 1
Onchocerca volvulus 0.0023 0.0292 0.1221
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1
Echinococcus granulosus geminin 0.0167 0.4504 1
Echinococcus multilocularis ribonuclease H1 0.0095 0.2394 0.5316
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0115 0.299 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0288 0.8038 1

Activities

Activity type Activity value Assay description Source Reference
Delta Fmax (ADMET) = 40.9 % Direct binding to PgP recombinant cytosolic domain was measured by percent maximal quenching of the intrinsic fluorescence. ChEMBL. 11262086
Hydrophobicity index (ADMET) = 1.06 Hydrophobicity index was determined in C18 reverse phase silica gel 20 * 20 cm plates in methanol:water(8:2). ChEMBL. 11262086
Kd (binding) = 7.44 Binding affinity to ABCB1 nucleotide binding domain 2 ChEMBL. 21723648
Kd (ADMET) = 0.036 uM Effect of Chrysin Alkylation on the Binding to PgP Cytosolic Domain. ChEMBL. 11262086
logP (ADMET) = 6.41 Partition coefficient (logP) ChEMBL. 11262086
Relative daunomycin accumulation (functional) = 0.39 Relative daunomycin accumulation was determined in PgP-positive leukemic K562/R7 cells with daunomycin at a concentration of 10 microM ChEMBL. 11262086

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

2 literature references were collected for this gene.

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