Detailed information for compound 166807
Basic information
Technical information
- TDR Targets ID: 166807
- Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4, 5-trimethoxyphenoxy)propan-2-ol
- MW: 432.51 | Formula: C23H32N2O6
-
H donors: 1
H acceptors: 1
LogP: 2.79
Rotable bonds: 10
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cc(OCC(CN2CCN(CC2)c2ccccc2OC)O)cc(c1OC)OC
- InChi: 1S/C23H32N2O6/c1-27-20-8-6-5-7-19(20)25-11-9-24(10-12-25)15-17(26)16-31-18-13-21(28-2)23(30-4)22(14-18)29-3/h5-8,13-14,17,26H,9-12,15-16H2,1-4H3
- InChiKey: KSQCNASWXSCJTD-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenoxy)-2-propanol
- 1-[4-(2-methoxyphenyl)piperazino]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
- enciprazine
- 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
- D-13112
- Wy-48624
- 1-Piperazineethanol, 4-(2-methoxyphenyl)-alpha-((3,4,5-trimethoxyphenoxy)methyl)-, (+-)-
- Enciprazino [INN-Spanish]
- Enciprazinum [INN-Latin]
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 leprae | PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) | 0.1685 | 0.1505 | 0.5 |
| Schistosoma mansoni | subfamily S9B unassigned peptidase (S09 family) | 0.4777 | 1 | 1 |
| Brugia malayi | prolyl oligopeptidase family protein | 0.1839 | 0.193 | 0.193 |
| Trypanosoma brucei | Dipeptidyl-peptidase 8-like, putative | 0.1839 | 0.193 | 0.0765 |
| Onchocerca volvulus | Dipeptidyl peptidase family member 1 homolog | 0.4777 | 1 | 1 |
| Brugia malayi | prolyl oligopeptidase family protein | 0.3705 | 0.7057 | 0.7057 |
| Trypanosoma brucei | prolyl endopeptidase | 0.3705 | 0.7057 | 1 |
| Toxoplasma gondii | prolyl endopeptidase | 0.3705 | 0.7057 | 1 |
| Mycobacterium ulcerans | protease II (oligopeptidase B), PtrB | 0.1685 | 0.1505 | 0.5 |
| Trypanosoma cruzi | dipeptidyl-peptidase 8-like serine peptidase | 0.1839 | 0.193 | 0.0765 |
| Echinococcus granulosus | dipeptidyl aminopeptidaseprotein | 0.4777 | 1 | 1 |
| Trypanosoma brucei | serine peptidase, Clan SC, Family S9B | 0.1839 | 0.193 | 0.0765 |
| Schistosoma mansoni | prolyl oligopeptidase (S09 family) | 0.3705 | 0.7057 | 0.6353 |
| Mycobacterium tuberculosis | Probable protease II PtrBa [first part] (oligopeptidase B) | 0.3003 | 0.5127 | 1 |
| Leishmania major | dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B | 0.1839 | 0.193 | 0.0765 |
| Leishmania major | prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative | 0.3705 | 0.7057 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.3705 | 0.7057 | 0.7057 |
| Trypanosoma cruzi | prolyl endopeptidase | 0.3705 | 0.7057 | 1 |
| Echinococcus multilocularis | prolyl endopeptidase | 0.3705 | 0.7057 | 0.6353 |
| Echinococcus multilocularis | dipeptidyl aminopeptidaseprotein | 0.4777 | 1 | 1 |
| Trypanosoma cruzi | serine peptidase, Clan SC, Family S9B | 0.1839 | 0.193 | 0.0765 |
| Echinococcus granulosus | prolyl endopeptidase | 0.3705 | 0.7057 | 0.6353 |
| Loa Loa (eye worm) | prolyl oligopeptidase | 0.4777 | 1 | 1 |
| Schistosoma mansoni | prolyl oligopeptidase (S09 family) | 0.3705 | 0.7057 | 0.6353 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Effect (functional) | 0 | Effect of the compound on diarrheal after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on tremor after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on jumping after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on piloerection after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on restlessness after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on salivation after oral administration of 50 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on diarrheal after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on tremor after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on jumping after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on piloerection after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on restlessness after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | 0 | Effect of the compound on salivation after oral administration of 100 mg/kg in rat was determined; '-' No effect | ChEMBL. | 1977910 |
| Effect (functional) | = 0.3 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 3017 (0-1) | ChEMBL. | 1977910 |
| Effect (functional) | = 1 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 9079 (0-2) | ChEMBL. | 1977910 |
| Effect (functional) | = 1.3 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 3038 (1-2) | ChEMBL. | 1977910 |
| Effect (functional) | = 1.3 | Tested for ability to maintain self-administration after administration of 1 mg/kg of the compound in monkey 9079 (0-3) | ChEMBL. | 1977910 |
| Effect (functional) | = 1.7 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 3017 Range (1-2) | ChEMBL. | 1977910 |
| Effect (functional) | = 2 | Tested for ability to maintain self-administration after administration of 0.01 mg/kg of the compound in monkey 9079 Range (1-3) | ChEMBL. | 1977910 |
| Effect (functional) | = 2 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 2037 (0-4) | ChEMBL. | 1977910 |
| Effect (functional) | = 2.3 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 2036 Range (2-3) | ChEMBL. | 1977910 |
| Effect (functional) | = 2.7 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 9083 (1-4) | ChEMBL. | 1977910 |
| Effect (functional) | = 3 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 9079 Range (1-6) | ChEMBL. | 1977910 |
| Effect (functional) | = 3 | Tested for ability to maintain self-administration after administration of 0.3 mg/kg of the compound in monkey 2036 (1-5) | ChEMBL. | 1977910 |
| Effect (functional) | = 3.5 | Tested for ability to maintain self-administration after administration of 0.001 mg/kg of the compound in monkey 3038 Range (2-5) | ChEMBL. | 1977910 |
| Effect (functional) | = 4 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 3038 Range (1-7) | ChEMBL. | 1977910 |
| Effect (functional) | = 4.3 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 2037 Range (2-6) | ChEMBL. | 1977910 |
| Effect (functional) | = 4.3 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 3017 Range (1-7) | ChEMBL. | 1977910 |
| Effect (functional) | = 4.3 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 3038 Range (1-10) | ChEMBL. | 1977910 |
| Effect (functional) | = 6.7 | Tested for ability to maintain self-administration after administration of 0.001 mg/kg of the compound in monkey 3017 Range (0-1) | ChEMBL. | 1977910 |
| Effect (functional) | = 7 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 2036 Range (5-9) | ChEMBL. | 1977910 |
| Effect (functional) | = 7.7 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 2037 Range (7-9) | ChEMBL. | 1977910 |
| Effect (functional) | = 9 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 9083 Range (7-11) | ChEMBL. | 1977910 |
| Effect (functional) | 13.7 | Tested for ability to maintain self-administration after administration of 0.03 mg/kg of the compound in monkey 9079 Range (2-24) | ChEMBL. | 1977910 |
| Effect (functional) | = 17.7 | Tested for ability to maintain self-administration after administration of 0.003 mg/kg of the compound in monkey 9083 Range (13-21) | ChEMBL. | 1977910 |
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
- Search by CAS
- Search by CAS
- ChEMBL: CHEMBL101284
- PubChem: 50222
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.