Detailed information for compound 1890287
Basic information
Technical information
- TDR Targets ID: 1890287
- Name: 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(1-ph enylbutylideneamino)acetamide
- MW: 372.484 | Formula: C19H24N4O2S
-
H donors: 1
H acceptors: 2
LogP: 2.97
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: CCC/C(=N\NC(=O)Cc1csc(n1)N1CCOCC1)/c1ccccc1
- InChi: 1S/C19H24N4O2S/c1-2-6-17(15-7-4-3-5-8-15)21-22-18(24)13-16-14-26-19(20-16)23-9-11-25-12-10-23/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,22,24)/b21-17+
- InChiKey: TYQXGZQTDMJADN-HEHNFIMWSA-N
Network
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Synonyms
- 2-(2-morpholinothiazol-4-yl)-N-(1-phenylbutylideneamino)acetamide
- 2-(2-morpholino-4-thiazolyl)-N-(1-phenylbutylideneamino)acetamide
- 2-(2-morpholin-4-yl-1,3-thiazol-4-yl)-N-(1-phenylbutylideneamino)ethanamide
- MLS001011304
- SMR000353235
- T0508-5844
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 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
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.7349 | 0.7309 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.7349 | 0.5309 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.058 | 0.058 |
| Trichomonas vaginalis | inositol monophosphatase, putative | 0.0045 | 0.7349 | 0.5 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.7349 | 0.7309 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.7349 | 0.5309 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.4349 | 0.4263 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.4349 | 0.4263 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.7349 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.42 | 0.42 |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.4349 | 0.4263 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.6184 | 0.5 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.7349 | 0.5 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.4349 | 0.4263 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.7349 | 0.7186 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.4349 | 0.4263 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.6184 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Onchocerca volvulus | 0.0033 | 0.4349 | 0.5 | |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.7349 | 0.5 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.4349 | 0.4001 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.4349 | 0.4349 |
| Onchocerca volvulus | 0.0033 | 0.4349 | 0.5 | |
| Echinococcus granulosus | guanine nucleotide binding protein Gs subunit | 0.0055 | 1 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.7349 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.7349 | 0.5 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0055 | 1 | 1 |
| Echinococcus multilocularis | guanine nucleotide binding protein G(s) subunit | 0.0055 | 1 | 1 |
| Schistosoma mansoni | Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) | 0.0055 | 1 | 1 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.7349 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.4349 | 0.4349 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.7349 | 0.5 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.7349 | 0.5 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.7349 | 0.5 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.7349 | 0.7349 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.4349 | 0.4263 |
| Trichomonas vaginalis | myo inositol monophosphatase, putative | 0.0045 | 0.7349 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0149 | 0.0149 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.4349 | 0.4349 |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.4349 | 0.4001 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | ChEMBL. | No reference |
| Potency (functional) | 5.6234 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) | = 15.8489 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
| Potency (functional) | 100 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 |
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: CHEMBL3210838
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.