Detailed information for compound 1651065

Basic information

Technical information
  • TDR Targets ID: 1651065
  • Name: 6-hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-y l)ethyl]-2,4-dimethylbenzaldehyde
  • MW: 338.397 | Formula: C21H22O4
  • H donors: 2 H acceptors: 3 LogP: 4.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(O)cc(c(c1C)CCC1(C)C=Cc2c(O1)ccc(c2)O)C
  • InChi: 1S/C21H22O4/c1-13-10-19(24)18(12-22)14(2)17(13)7-9-21(3)8-6-15-11-16(23)4-5-20(15)25-21/h4-6,8,10-12,23-24H,7,9H2,1-3H3
  • InChiKey: HXHCCUWOGMBIRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-hydroxy-3-[2-(6-hydroxy-2-methyl-chromen-2-yl)ethyl]-2,4-dimethyl-benzaldehyde
  • 6-hydroxy-3-[2-(6-hydroxy-2-methyl-2-chromenyl)ethyl]-2,4-dimethylbenzaldehyde
  • NSC652097
  • NCI60_018218

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
Echinococcus granulosus lamin 0.0025 0.1312 0.2634
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4979 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4979 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1265 0.1265
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0321 0.0645
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4979 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2113 0.2006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0321 0.0645
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.1312 0.1193
Loa Loa (eye worm) hypothetical protein 0.0049 0.3658 0.3658
Echinococcus granulosus GPCR family 2 0.0015 0.0321 0.0645
Loa Loa (eye worm) hypothetical protein 0.0025 0.1312 0.1312
Schistosoma mansoni hypothetical protein 0.0033 0.2113 0.3848
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0321 0.0645
Schistosoma mansoni lamin 0.0025 0.1312 0.2127
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0321 0.0645
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.3658 0.3658
Loa Loa (eye worm) hypothetical protein 0.0015 0.0321 0.0321
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0321 0.0189
Echinococcus granulosus tar DNA binding protein 0.0062 0.4979 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0135 0.0135
Echinococcus granulosus lamin dm0 0.0025 0.1312 0.2634
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4979 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0321 0.0189
Brugia malayi intermediate filament protein 0.0025 0.1312 0.1193
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.1312 0.1312
Onchocerca volvulus 0.0025 0.1312 0.5
Echinococcus multilocularis lamin 0.0025 0.1312 0.2634
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4979 0.4979
Loa Loa (eye worm) MH2 domain-containing protein 0.0112 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4979 0.4911
Loa Loa (eye worm) RNA binding protein 0.0062 0.4979 0.4979
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.3658 0.3571
Schistosoma mansoni intermediate filament proteins 0.0025 0.1312 0.2127
Schistosoma mansoni lamin 0.0025 0.1312 0.2127
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0321 0.0321
Echinococcus multilocularis musashi 0.0025 0.1312 0.2634
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4979 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4979 0.4979
Onchocerca volvulus 0.0025 0.1312 0.5
Echinococcus multilocularis GPCR, family 2 0.0015 0.0321 0.0645
Echinococcus multilocularis lamin dm0 0.0025 0.1312 0.2634
Brugia malayi TAR-binding protein 0.0062 0.4979 0.4911
Brugia malayi RNA binding protein 0.0062 0.4979 0.4911
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.3658 0.3571
Echinococcus granulosus intermediate filament protein 0.0025 0.1312 0.2634
Loa Loa (eye worm) intermediate filament protein 0.0025 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0033 0.2113 0.2113
Loa Loa (eye worm) transcription factor SMAD2 0.0112 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4979 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.804 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.776 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.738 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.653 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.643 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.605 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.598 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.533 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) 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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