Detailed information for compound 1342218
Basic information
Technical information
- TDR Targets ID: 1342218
- Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methy laminopropan-2-ol hydrochloride
- MW: 315.839 | Formula: C15H26ClN3O2
-
H donors: 2
H acceptors: 1
LogP: 1.58
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: CNCC(CN1CCN(CC1)c1ccccc1OC)O.Cl
- InChi: 1S/C15H25N3O2.ClH/c1-16-11-13(19)12-17-7-9-18(10-8-17)14-5-3-4-6-15(14)20-2;/h3-6,13,16,19H,7-12H2,1-2H3;1H
- InChiKey: BNPYETITHZGLOX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylamino-propan-2-ol hydrochloride
- 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-methylaminopropan-2-ol hydrochloride
- MLS000710704
- SMR000280471
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Giardia lamblia | U5 small nuclear ribonucleoprotein 200 kDa helicase, putative | RecQ helicase-like | 649 aa | 521 aa | 19.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | ATP dependent DNA helicase Q1 | 0.0024 | 0.6522 | 1 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 1 | 1 |
| Echinococcus multilocularis | ATP dependent DNA helicase Q5 | 0.0024 | 0.6522 | 1 |
| Echinococcus granulosus | ATP dependent DNA helicase Q1 | 0.0024 | 0.6522 | 1 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 1 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 1 | 1 |
| Loa Loa (eye worm) | ATP-dependent DNA helicase | 0.0024 | 0.6522 | 0.6433 |
| Echinococcus granulosus | ATP dependent DNA helicase Q5 | 0.0024 | 0.6522 | 1 |
| Loa Loa (eye worm) | RecQ helicase | 0.0024 | 0.6522 | 0.6433 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.6522 | 0.6522 |
| Loa Loa (eye worm) | hypothetical protein | 0.003 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0012 | 0.0248 | 0.0000000054104 |
| Entamoeba histolytica | recQ family DNA helicase | 0.0012 | 0.0248 | 0.0381 |
| Giardia lamblia | Sgs1 DNA helicase, putative | 0.0024 | 0.6522 | 0.5 |
| Schistosoma mansoni | DNA helicase recq1 | 0.0024 | 0.6522 | 1 |
| Entamoeba histolytica | recQ family helicase, putative | 0.0024 | 0.6522 | 1 |
| Echinococcus granulosus | bloom syndrome protein | 0.0024 | 0.6522 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0024 | 0.6522 | 0.6433 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.6522 | 0.6522 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.6522 | 0.397 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 1 | 1 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.6522 | 0.5 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 1 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 1 | 1 |
| Brugia malayi | ATP-dependent DNA helicase, RecQ family protein | 0.0024 | 0.6522 | 0.397 |
| Treponema pallidum | ATP-dependent DNA helicase | 0.0012 | 0.0248 | 0.5 |
| Trichomonas vaginalis | DNA helicase recq, putative | 0.0024 | 0.6522 | 0.5 |
| Echinococcus multilocularis | bloom syndrome protein | 0.0024 | 0.6522 | 1 |
| Schistosoma mansoni | DNA helicase recq5 | 0.0024 | 0.6522 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 1 | 1 |
| Plasmodium vivax | ADP-dependent DNA helicase RecQ, putative | 0.0012 | 0.0248 | 0.0248 |
| Trypanosoma cruzi | ATP-dependent DEAD/H DNA helicase recQ, putative | 0.0024 | 0.6522 | 0.6433 |
| Toxoplasma gondii | ATP-dependent DNA helicase, RecQ family protein | 0.0012 | 0.0248 | 0.0248 |
| Schistosoma mansoni | hypothetical protein | 0.0014 | 0.1025 | 0.1239 |
| Brugia malayi | Bloom's syndrome protein homolog | 0.0024 | 0.6522 | 0.397 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.003 | 1 | 1 |
| Trichomonas vaginalis | DNA helicase recq1, putative | 0.0024 | 0.6522 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.0621 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 uM | PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] | ChEMBL. | No reference |
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
- ChEMBL: CHEMBL1486709
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.