Detailed information for compound 665310
Basic information
Technical information
- TDR Targets ID: 665310
- Name: 4-(4-chlorophenoxy)-N-(4-morpholin-4-ylphenyl )butanamide
- MW: 374.861 | Formula: C20H23ClN2O3
-
H donors: 1
H acceptors: 1
LogP: 3.43
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1ccc(cc1)N1CCOCC1)CCCOc1ccc(cc1)Cl
- InChi: 1S/C20H23ClN2O3/c21-16-3-9-19(10-4-16)26-13-1-2-20(24)22-17-5-7-18(8-6-17)23-11-14-25-15-12-23/h3-10H,1-2,11-15H2,(H,22,24)
- InChiKey: RKDTXTRFLIPXDO-UHFFFAOYSA-N
Network
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Synonyms
- 4-(4-chlorophenoxy)-N-(4-morpholinophenyl)butanamide
- 4-(4-chlorophenoxy)-N-(4-morpholinophenyl)butyramide
- STOCK2S-95046
- 4-(4-Chloro-phenoxy)-N-(4-morpholin-4-yl-phenyl)-butyramide
- BAS 03311339
- MLS000708798
- SMR000289365
- ZINC01773698
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glycoprotein hormones, alpha polypeptide | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | flap structure-specific endonuclease 1 | Starlite/ChEMBL | No references |
| Homo sapiens | GNAS complex locus | 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 |
|---|---|---|---|---|---|
| Toxoplasma gondii | intraflagellar transport protein 172, putative | glycoprotein hormones, alpha polypeptide | 116 aa | 94 aa | 26.6 % |
| Trypanosoma brucei | exonuclease, putative | flap structure-specific endonuclease 1 | 380 aa | 322 aa | 24.5 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
| Schistosoma mansoni | GTP-binding protein alpha subunit gna | GNAS complex locus | 394 aa | 450 aa | 28.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.8918 | 0.8858 |
| Toxoplasma gondii | flap structure-specific endonuclease 1, putative | 0.0031 | 0.4827 | 0.4544 |
| Giardia lamblia | Flap structure-specific endonuclease | 0.0031 | 0.4827 | 0.4544 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 1 | 1 |
| Plasmodium falciparum | flap endonuclease 1 | 0.0031 | 0.4827 | 1 |
| Brugia malayi | Flap endonuclease-1 | 0.0031 | 0.4827 | 0.4544 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.4827 | 0.4544 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 1 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | flap endonuclease 1 | 0.0031 | 0.4827 | 0.4544 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 1 | 1 |
| Entamoeba histolytica | Flap nuclease, putative | 0.0031 | 0.4827 | 1 |
| Plasmodium vivax | flap endonuclease 1, putative | 0.0031 | 0.4827 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Leishmania major | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.4827 | 0.4544 |
| Echinococcus granulosus | flap endonuclease 1 | 0.0031 | 0.4827 | 0.4544 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 0.8918 | 0.8858 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 0.8918 | 0.8858 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Plasmodium falciparum | exonuclease I, putative | 0.0006 | 0.0519 | 0.1076 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.8918 | 0.8858 |
| Plasmodium vivax | exonuclease I, putative | 0.0006 | 0.0519 | 0.1076 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | flap endonuclease-1, putative | 0.0031 | 0.4827 | 0.4544 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | flap endonuclease-1 | 0.0031 | 0.4827 | 0.4544 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.8918 | 0.8858 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.8918 | 0.8858 |
| Plasmodium vivax | DNA repair protein RAD2, putative | 0.0006 | 0.0519 | 0.1076 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 0.8918 | 0.8858 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 1 | 1 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0055 | 0.8918 | 0.8858 |
| Schistosoma mansoni | flap endonuclease-1 | 0.0028 | 0.4308 | 0.3996 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 0.8918 | 0.8858 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Plasmodium falciparum | DNA repair protein RAD2, putative | 0.0006 | 0.0519 | 0.1076 |
| Trypanosoma brucei | flap endonuclease-1 (FEN-1), putative | 0.0031 | 0.4827 | 0.4544 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.7943 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] | ChEMBL. | No reference |
| Potency (functional) | 1.4125 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 6.3096 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.9433 uM | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] | 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: CHEMBL1546344
- Search by Saint Jude
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.