Detailed information for compound 431665

Basic information

Technical information
  • TDR Targets ID: 431665
  • Name: 1-[2-[4-[(4-methoxyphenyl)-phenanthren-9-ylme thyl]phenoxy]ethyl]piperidine
  • MW: 501.658 | Formula: C35H35NO2
  • H donors: 0 H acceptors: 0 LogP: 8.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)C(c1cc2ccccc2c2c1cccc2)c1ccc(cc1)OCCN1CCCCC1
  • InChi: 1S/C35H35NO2/c1-37-29-17-13-26(14-18-29)35(27-15-19-30(20-16-27)38-24-23-36-21-7-2-8-22-36)34-25-28-9-3-4-10-31(28)32-11-5-6-12-33(32)34/h3-6,9-20,25,35H,2,7-8,21-24H2,1H3
  • InChiKey: DLBLNSNJKLOGKW-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[2-[4-[(4-methoxyphenyl)-(9-phenanthryl)methyl]phenoxy]ethyl]piperidine
  • 1-[2-[4-[(4-methoxyphenyl)-phenanthren-9-yl-methyl]phenoxy]ethyl]piperidine
  • AIDS-219773
  • AIDS219773
  • Piperidine, 1-[2-[4-[(4-methoxyphenyl)-9-phenanthrenylmethyl]phenoxy]ethyl]-

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 follicle stimulating hormone receptor 0.0246 0.2711 0.7754
Brugia malayi Nuclear hormone receptor-like 1 0.0162 0.1635 0.4675
Brugia malayi Nuclear hormone receptor-like 1 0.0307 0.3497 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0148 0.0148
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0056 0.0264 0.0345
Brugia malayi tailless protein 0.0145 0.1411 0.4036
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.1533 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0307 0.3497 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0056 0.0264 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0184 0.0327
Schistosoma mansoni single-minded 0.0047 0.0158 0.0012
Brugia malayi nuclear receptor NHR-67 0.0145 0.1411 0.4036
Echinococcus granulosus FTZ F1 alpha 0.0307 0.3497 0.4142
Brugia malayi ecdysteroid receptor 0.0307 0.3497 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0145 0.1411 0.4036
Brugia malayi Calcium binding EGF domain containing protein 0.0056 0.0264 0.0755
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0148 0.0148
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0162 0.1635 0.1635
Onchocerca volvulus Bile acid receptor homolog 0.0307 0.3497 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0145 0.1411 0.4036
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0148 0.0176
Echinococcus multilocularis thyroid hormone receptor alpha 0.0307 0.3497 0.3497
Schistosoma mansoni microtubule-associated protein tau 0.0691 0.8443 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0307 0.3497 0.4037
Brugia malayi nuclear hormone receptor 0.0307 0.3497 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0307 0.3497 0.3497
Schistosoma mansoni RAR-like nuclear receptor 0.0307 0.3497 0.4037
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0049 0.0184 0.0327
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0307 0.3497 0.3497
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0307 0.3497 0.4142
Onchocerca volvulus Protein ultraspiracle homolog 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0184 0.5
Schistosoma mansoni nuclear hormone receptor 0.0307 0.3497 0.4037
Schistosoma mansoni nuclear hormone receptor 0.0145 0.1411 0.1523
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi Steroid receptor seven-up type 2 0.0307 0.3497 1
Brugia malayi hypothetical protein 0.0162 0.1635 0.4675
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0148 0.0425
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0145 0.1411 0.1411
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0307 0.3497 0.4142
Echinococcus granulosus nuclear receptor nhr 48 0.0145 0.1411 0.1672
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0307 0.3497 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0345
Brugia malayi ecdysone receptor 0.0145 0.1411 0.4036
Trypanosoma brucei protein kinase, putative 0.0049 0.0184 0.0327
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0194 0.0358
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0307 0.3497 0.3497
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0148 0.0176
Echinococcus granulosus Nuclear hormone receptor HR96 0.0145 0.1411 0.1672
Loa Loa (eye worm) DR-78 0.0145 0.1411 0.3772
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0145 0.1411 0.1672
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0307 0.3497 0.4142
Loa Loa (eye worm) hypothetical protein 0.0162 0.1635 0.4439
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0307 0.3497 0.4037
Brugia malayi nuclear receptor RXR 0.0162 0.1635 0.4675
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0307 0.3497 0.4037
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0307 0.3497 0.4142
Brugia malayi steroid hormone receptor 0.0307 0.3497 1
Schistosoma mansoni coup transcription factor 0.0307 0.3497 0.4037
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0307 0.3497 0.3497
Brugia malayi hypothetical protein 0.0159 0.1593 0.4555
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0307 0.3497 0.4142
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0307 0.3497 1
Mycobacterium ulcerans hypothetical protein 0.0154 0.1533 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.3315 1
Brugia malayi Nuclear hormone receptor-like 1 0.0162 0.1635 0.4675
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0307 0.3497 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0056 0.0264 0.0755
Echinococcus granulosus mitogen activated protein kinase 0.0049 0.0184 0.0218
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0307 0.3497 0.3497
Loa Loa (eye worm) hypothetical protein 0.0162 0.1635 0.4439
Echinococcus multilocularis nuclear receptor nhr 48 0.0145 0.1411 0.1411
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0145 0.1411 0.1672
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0307 0.3497 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0162 0.1635 0.1792
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.3315 1
Brugia malayi nuclear receptor NHR-88 0.0145 0.1411 0.4036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0162 0.1635 0.1936
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0056 0.0264 0.0139
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0307 0.3497 0.3497
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0145 0.1411 0.4036
Echinococcus multilocularis laminin 0.0056 0.0264 0.0264
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.3315 1
Brugia malayi hypoxia-induced factor 1 0.0146 0.1435 0.4102
Brugia malayi conserved hypotetical protein 0.0145 0.1411 0.4036
Brugia malayi hypothetical protein 0.0145 0.1411 0.4036
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0145 0.1411 0.4036
Loa Loa (eye worm) nuclear hormone receptor 0.0145 0.1411 0.3772
Schistosoma mansoni egf-like domain protein 0.0056 0.0264 0.0139
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0307 0.3497 0.4142
Brugia malayi MAP kinase sur-1 0.0049 0.0184 0.0527
Brugia malayi Fibulin-1 precursor 0.0056 0.0264 0.0755
Schistosoma mansoni zinc finger protein 0.0145 0.1411 0.1523
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0049 0.0184 0.0327
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0345
Loa Loa (eye worm) hypothetical protein 0.0159 0.1593 0.4314
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0162 0.1635 0.1792
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0307 0.3497 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0184 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0307 0.3497 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0307 0.3497 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0162 0.1635 0.4439
Schistosoma mansoni steroid hormone receptor ad4bp 0.0307 0.3497 0.4037
Brugia malayi nuclear hormone receptor family member odr-7 0.0145 0.1411 0.4036
Echinococcus multilocularis mitogen activated protein kinase 3 0.0049 0.0184 0.0184
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0049 0.0184 0.0327
Echinococcus granulosus thyroid hormone receptor alpha 0.0145 0.1411 0.1672
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0307 0.3497 1
Schistosoma mansoni thyroid hormone receptor 0.0307 0.3497 0.4037
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1331 0.3871
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.3315 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0049 0.0184 0.0218
Giardia lamblia Kinase, CMGC MAPK 0.0049 0.0184 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0307 0.3497 0.4037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0307 0.3497 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1331 0.3664
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0307 0.3497 1
Schistosoma mansoni nuclear hormone receptor 0.0145 0.1411 0.1523
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0345
Echinococcus multilocularis microtubule associated protein 2 0.0691 0.8443 0.8443
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0307 0.3497 1
Onchocerca volvulus Arrow homolog 0.0056 0.0264 0.0755
Echinococcus granulosus Nuclear hormone receptor HR96 0.0145 0.1411 0.1672
Echinococcus multilocularis Tolloid protein 1 0.0056 0.0264 0.0264
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0145 0.1411 0.1411
Loa Loa (eye worm) hypothetical protein 0.0162 0.1635 0.4439
Brugia malayi nuclear receptor NHR-88 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0056 0.0264 0.0345
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0345
Echinococcus multilocularis fibrillin 1 0.0056 0.0264 0.0264
Loa Loa (eye worm) hypothetical protein 0.0056 0.0264 0.0345
Schistosoma mansoni thyroid hormone receptor 0.0307 0.3497 0.4037
Echinococcus multilocularis mitogen activated protein kinase 0.0049 0.0184 0.0184
Brugia malayi nuclear hormone receptor 0.0145 0.1411 0.4036
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi nuclear receptor RXR 0.0145 0.1411 0.4036
Brugia malayi hypothetical protein 0.0145 0.1411 0.4036
Loa Loa (eye worm) steroid hormone receptor 0.0307 0.3497 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.1635 0.4439
Brugia malayi hypothetical protein 0.0162 0.1635 0.4675
Brugia malayi Nuclear hormone receptor E75 0.0145 0.1411 0.4036
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0307 0.3497 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0246 0.2711 0.7654
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0158 0.0012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0307 0.3497 1
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0307 0.3497 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0307 0.3497 0.4037
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0184 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0307 0.3497 0.4037
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.1331 0.3871
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Onchocerca volvulus 0.0307 0.3497 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0307 0.3497 1
Brugia malayi PAS domain containing protein 0.0047 0.0158 0.0453
Echinococcus multilocularis FTZ F1 alpha 0.0307 0.3497 0.3497
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0145 0.1411 0.1523
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0145 0.1411 0.1523
Schistosoma mansoni nuclear receptor 0.0145 0.1411 0.1523
Echinococcus granulosus laminin 0.0056 0.0264 0.0313
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi Nuclear hormone receptor E75 0.0145 0.1411 0.4036
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0049 0.0184 0.2605
Onchocerca volvulus 0.0145 0.1411 0.4036
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Echinococcus granulosus Tolloid protein 1 0.0056 0.0264 0.0313
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0145 0.1411 0.3772
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0307 0.3497 0.4142
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0049 0.0184 0.0327
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.1435 0.3841
Toxoplasma gondii calcium binding egf domain-containing protein 0.0056 0.0264 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0307 0.3497 0.3497
Loa Loa (eye worm) hypothetical protein 0.0162 0.1635 0.4439
Echinococcus granulosus ecdysone induced protein 78C 0.0307 0.3497 0.4142
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0307 0.3497 1
Echinococcus granulosus microtubule associated protein 2 0.0691 0.8443 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0049 0.0184 0.0107
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0145 0.1411 0.1411
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Brugia malayi orphan nuclear receptor NR2E1 0.0145 0.1411 0.4036
Schistosoma mansoni nuclear receptor 0.0145 0.1411 0.1523
Loa Loa (eye worm) hypothetical protein 0.0145 0.1411 0.3772
Loa Loa (eye worm) nuclear receptor NHR-67 0.0145 0.1411 0.3772
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0307 0.3497 1
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0184 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0184 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0307 0.3497 1
Schistosoma mansoni nuclear receptor nhr-48 0.0145 0.1411 0.1523
Onchocerca volvulus 0.0145 0.1411 0.4036
Loa Loa (eye worm) hypothetical protein 0.0307 0.3497 1
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0056 0.0264 0.0345
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0307 0.3497 0.4037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0145 0.1411 0.1411
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0145 0.1411 0.1411

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay ChEMBL. 17112639
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC method ChEMBL. 17112639
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay ChEMBL. 17112639
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639
MIC (functional) = 6.25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC method ChEMBL. 17112639
Selectivity index (functional) = 10 Selectivity index, IC50 for vero cells to MIC for Mycobacterium tuberculosis H37Rv ChEMBL. 17112639

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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