Detailed information for compound 431675

Basic information

Technical information
  • TDR Targets ID: 431675
  • Name: 4-[phenanthren-9-yl-[4-(2-piperidin-1-ylethox y)phenyl]methyl]phenol
  • MW: 487.631 | Formula: C34H33NO2
  • H donors: 1 H acceptors: 1 LogP: 8.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C(c1cc2ccccc2c2c1cccc2)c1ccc(cc1)OCCN1CCCCC1
  • InChi: 1S/C34H33NO2/c36-28-16-12-25(13-17-28)34(26-14-18-29(19-15-26)37-23-22-35-20-6-1-7-21-35)33-24-27-8-2-3-9-30(27)31-10-4-5-11-32(31)33/h2-5,8-19,24,34,36H,1,6-7,20-23H2
  • InChiKey: YWQVENNSVHONQN-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[9-phenanthryl-[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]phenol
  • 4-[9-phenanthryl-[4-(2-piperidinoethoxy)phenyl]methyl]phenol

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

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639
MIC (functional) = 12.5 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC method ChEMBL. 17112639
MIC (functional) = 12.5 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by microdilution method ChEMBL. 17112639
MIC (functional) = 12.5 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by BACTEC method ChEMBL. 17112639
MIC (functional) = 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay ChEMBL. 17112639
MIC (functional) = 25 ug ml-1 Antitubercular activity against Mycobacterium tuberculosis H37Rv by MABA assay 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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