Detailed information for compound 147775

Basic information

Technical information
  • TDR Targets ID: 147775
  • Name: 1-chloro-2-[(2S,3R)-4-(2-chloro-4,5-dimethoxy phenyl)-2,3-dimethylbutyl]-4,5-dimethoxybenze ne
  • MW: 427.361 | Formula: C22H28Cl2O4
  • H donors: 0 H acceptors: 0 LogP: 6.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C[C@H]([C@H](Cc2cc(OC)c(cc2Cl)OC)C)C)c(cc1OC)Cl
  • InChi: 1S/C22H28Cl2O4/c1-13(7-15-9-19(25-3)21(27-5)11-17(15)23)14(2)8-16-10-20(26-4)22(28-6)12-18(16)24/h9-14H,7-8H2,1-6H3/t13-,14+
  • InChiKey: BHDBYDHCGFKVOL-OKILXGFUSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-chloro-2-[(2S,3R)-4-(2-chloro-4,5-dimethoxy-phenyl)-2,3-dimethyl-butyl]-4,5-dimethoxy-benzene

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 tuberculosis Probable cytochrome P450 141 Cyp141 0.0407 0.5243 1
Echinococcus granulosus cytochrome P450 2K1 0.0025 0.0057 0.0132
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0057 0.0132
Brugia malayi cytochrome P450 0.0025 0.0057 0.0132
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0407 0.5243 1
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0407 0.5243 1
Schistosoma mansoni inositol transporter 0.0037 0.0226 0.0524
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0025 0.0057 0.5642
Brugia malayi hypothetical protein 0.0035 0.0198 0.0459
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0057 0.0132
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0029 0.5028
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0198 0.0459
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0057 1
Echinococcus multilocularis high affinity choline transporter 1 0.0338 0.4311 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0407 0.5243 1
Onchocerca volvulus 0.0037 0.0226 0.5
Mycobacterium ulcerans oxidoreductase 0.0382 0.4906 0.935
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0407 0.5243 1
Leishmania major importin beta-1 subunit, putative 0.0023 0.0029 0.5028
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0198 0.0459
Schistosoma mansoni cytochrome P450 0.0025 0.0057 0.0132
Brugia malayi GH02984p 0.0338 0.4311 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0407 0.5243 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0025 0.0057 1
Echinococcus granulosus solute carrier family 5 0.0037 0.0226 0.0524
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.0226 0.0226
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0407 0.5243 1
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0037 0.0226 0.0524
Schistosoma mansoni inositol transporter 0.0037 0.0226 0.0524
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.0226 0.0524
Entamoeba histolytica hypothetical protein 0.0035 0.0198 1
Echinococcus multilocularis snurportin 1 0.0299 0.3785 0.8781
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0407 0.5243 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0101 0.0233
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 1
Mycobacterium leprae putative cytochrome p450 0.0407 0.5243 1
Brugia malayi Cytochrome P450 family protein 0.0025 0.0057 0.0132
Echinococcus granulosus sodium:glucose cotransporter 2 0.0037 0.0226 0.0524
Echinococcus granulosus importin subunit beta 1 0.0028 0.0101 0.0233
Brugia malayi Cytochrome P450 family protein 0.0025 0.0057 0.0132
Loa Loa (eye worm) cytochrome P450 0.0025 0.0057 0.0132
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0407 0.5243 1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0407 0.5243 1
Trypanosoma brucei cytochrome P450, putative 0.0025 0.0057 0.5642
Schistosoma mansoni hypothetical protein 0.0025 0.0057 0.0132
Mycobacterium tuberculosis Probable oxidoreductase 0.0382 0.4906 0.935
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0407 0.5243 1
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0025 0.0057 1
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0057 1
Loa Loa (eye worm) CYP4Cod1 0.0025 0.0057 0.0132
Echinococcus granulosus high affinity choline transporter 1 0.0338 0.4311 1
Echinococcus granulosus sodium:glucose cotransporter 0.0037 0.0226 0.0524
Entamoeba histolytica hypothetical protein 0.0035 0.0198 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0407 0.5243 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0029 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0299 0.3785 0.8781
Entamoeba histolytica hypothetical protein 0.0035 0.0198 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0407 0.5243 1
Schistosoma mansoni hypothetical protein 0.0035 0.0198 0.0459
Schistosoma mansoni hypothetical protein 0.0299 0.3785 0.8781
Brugia malayi Sodium:solute symporter family protein 0.0037 0.0226 0.0524
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0101 1
Plasmodium falciparum importin beta, putative 0.0028 0.0101 1
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0037 0.0226 0.0524
Brugia malayi Cytochrome P450 family protein 0.0025 0.0057 0.0132
Leishmania major cytochrome p450-like protein 0.0025 0.0057 1
Schistosoma mansoni importin beta-1 0.0028 0.0101 0.0233
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0101 0.0101
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0407 0.5243 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0 0.5
Echinococcus multilocularis solute carrier family 5 0.0037 0.0226 0.0524
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0025 0.0057 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0407 0.5243 1
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0407 0.5243 1
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0407 0.5243 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0198 0.0459
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0407 0.5243 1
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0029 1
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0407 0.5243 1
Leishmania major cytochrome p450-like protein 0.0025 0.0057 1
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.0226 0.0524
Brugia malayi Importin beta-1 subunit 0.0028 0.0101 0.0233
Echinococcus granulosus snurportin 1 0.0299 0.3785 0.8781
Brugia malayi RNA, U transporter 1 0.008 0.0803 0.1862
Entamoeba histolytica hypothetical protein 0.0023 0.0029 0.1441
Echinococcus granulosus sodium:myo inositol cotransporter 0.0037 0.0226 0.0524
Plasmodium vivax importin-beta 2, putative 0.0028 0.0101 1
Entamoeba histolytica hypothetical protein 0.0035 0.0198 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0043 0.0309 0.0716
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0407 0.5243 1
Brugia malayi Cytochrome P450 family protein 0.0043 0.0309 0.0716
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0407 0.5243 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0226 0.0524
Echinococcus multilocularis 0.0025 0.0057 0.0132
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0407 0.5243 1
Schistosoma mansoni high-affinity choline transporter 0.0338 0.4311 1
Trypanosoma cruzi cytochrome P450, putative 0.0025 0.0057 1
Leishmania major cytochrome p450-like protein 0.0025 0.0057 1
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0101 0.0233
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0407 0.5243 1
Loa Loa (eye worm) hypothetical protein 0.0338 0.4311 1
Schistosoma mansoni sodium/solute symporter 0.0037 0.0226 0.0524
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0407 0.5243 1
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0407 0.5243 1
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0407 0.5243 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) 0 Inhibition ratio of human reticulocyte 15-lipoxygenase (15-HLO)/ human platelet 12-lipoxygenase (12-HLO) ;NI is no inhibition ChEMBL. 12036375
Inhibition (binding) % percent inhibition against human platelet 12-lipoxygenase (12-HLO); NI is no inhibition ChEMBL. 12036375
Inhibition (binding) % percent inhibition against soybean 1-lipoxygenase (SLO);NI is no inhibition ChEMBL. 12036375
Inhibition (binding) % Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO) ;NI is no inhibition ChEMBL. 12036375
Inhibition (binding) 0 % Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO) ;NI is no inhibition ChEMBL. 12036375
Inhibition (binding) 0 % percent inhibition against human platelet 12-lipoxygenase (12-HLO); NI is no inhibition ChEMBL. 12036375
Inhibition (binding) 0 % percent inhibition against soybean 1-lipoxygenase (SLO);NI is no inhibition ChEMBL. 12036375

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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