Detailed information for compound 160190
Basic information
Technical information
- TDR Targets ID: 160190
- Name: 1-(1,3-benzodioxol-5-yl)-4-[4-[(2,5-difluorop henyl)methyl]piperazin-1-yl]cyclohexan-1-ol
- MW: 430.488 | Formula: C24H28F2N2O3
-
H donors: 1
H acceptors: 1
LogP: 3.52
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Fc1ccc(c(c1)CN1CCN(CC1)C1CCC(CC1)(O)c1ccc2c(c1)OCO2)F
- InChi: 1S/C24H28F2N2O3/c25-19-2-3-21(26)17(13-19)15-27-9-11-28(12-10-27)20-5-7-24(29,8-6-20)18-1-4-22-23(14-18)31-16-30-22/h1-4,13-14,20,29H,5-12,15-16H2
- InChiKey: JYGAJCKXKOAJLG-UHFFFAOYSA-N
Network
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Synonyms
- 1-(1,3-benzodioxol-5-yl)-4-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]cyclohexanol
- 1-(1,3-benzodioxol-5-yl)-4-[4-[(2,5-difluorophenyl)methyl]-1-piperazinyl]cyclohexanol
- 1-(1,3-benzodioxol-5-yl)-4-[4-(2,5-difluorobenzyl)piperazino]cyclohexanol
- 1-(1,3-benzodioxol-5-yl)-4-[4-[(2,5-difluorophenyl)methyl]-1-piperazinyl]-1-cyclohexanol
- 1-(1,3-benzodioxol-5-yl)-4-[4-(2,5-difluorobenzyl)piperazin-1-yl]cyclohexan-1-ol
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Rattus norvegicus | Serotonin 1a (5-HT1a) receptor | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Toxoplasma gondii | SWIB/MDM2 domain-containing protein | 0.0342 | 1 | 1 |
| Trypanosoma brucei | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0122 | 0 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Trypanosoma brucei | mitochondrial RNA binding complex 1 subunit | 0.0122 | 0 | 0.5 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0122 | 0 | 0.5 |
| Schistosoma mansoni | biogenic amine (5HT) receptor | 0.015 | 0.1284 | 0.1284 |
| Echinococcus granulosus | SWI:SNF matrix associated | 0.0342 | 1 | 1 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others, putative | 0.0122 | 0 | 0.5 |
| Echinococcus multilocularis | serotonin receptor | 0.015 | 0.1284 | 0.1284 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0342 | 1 | 1 |
| Echinococcus granulosus | biogenic amine 5HT receptor | 0.015 | 0.1284 | 0.1284 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.015 | 0.1284 | 0.1284 |
| Echinococcus multilocularis | Upstream activation factor subunit UAF30 | 0.0342 | 1 | 1 |
| Loa Loa (eye worm) | brahma associated protein | 0.0342 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0342 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Toxoplasma gondii | DNA topoisomerase domain-containing protein | 0.0342 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0122 | 0 | 0.5 |
| Echinococcus multilocularis | serotonin receptor | 0.015 | 0.1284 | 0.1284 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0342 | 1 | 1 |
| Brugia malayi | SWIB/MDM2 domain containing protein | 0.0342 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0342 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.015 | 0.1284 | 0.1284 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0122 | 0 | 0.5 |
| Trypanosoma cruzi | Zn-finger in Ran binding protein and others/FYVE zinc finger, putative | 0.0122 | 0 | 0.5 |
| Trypanosoma cruzi | mitochondrial RNA binding complex 1 subunit, putative | 0.0122 | 0 | 0.5 |
| Schistosoma mansoni | brg-1 associated factor | 0.0342 | 1 | 1 |
| Loa Loa (eye worm) | SWIB/MDM2 domain-containing protein | 0.0342 | 1 | 1 |
| Plasmodium vivax | hypothetical protein, conserved | 0.0342 | 1 | 0.5 |
| Trypanosoma cruzi | WLM domain containing protein, putative | 0.0122 | 0 | 0.5 |
| Echinococcus granulosus | Upstream activation factor subunit UAF30 | 0.0342 | 1 | 1 |
| Echinococcus multilocularis | SWI:SNF matrix associated | 0.0342 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Chlamydia trachomatis | SWIB complex protein | 0.0342 | 1 | 0.5 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0342 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0342 | 1 | 1 |
| Trypanosoma brucei | hypothetical protein, conserved | 0.0122 | 0 | 0.5 |
| Brugia malayi | brahma associated protein 60 kDa | 0.0342 | 1 | 1 |
| Plasmodium falciparum | SWIB/MDM2 domain-containing protein | 0.0342 | 1 | 1 |
| Onchocerca volvulus | 0.0342 | 1 | 1 | |
| Chlamydia trachomatis | DNA topoisomerase I | 0.0342 | 1 | 0.5 |
| Plasmodium vivax | SWIB/MDM2 domain-containing protein, putative | 0.0342 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0342 | 1 | 0.5 |
Activities
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.
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
- PubChem: 18998440
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.