Detailed information for compound 1444738
Basic information
Technical information
- TDR Targets ID: 1444738
- Name: 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitr obenzamide
- MW: 325.34 | Formula: C13H15N3O5S
-
H donors: 1
H acceptors: 3
LogP: 1.02
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)N1CCOCC1
- InChi: 1S/C13H15N3O5S/c1-20-11-3-2-9(8-10(11)16(18)19)12(17)14-13(22)15-4-6-21-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,17,22)
- InChiKey: OGJYORNKQKPDOS-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitro-benzamide
- 4-methoxy-N-(morpholino-thioxomethyl)-3-nitrobenzamide
- 4-methoxy-N-morpholin-4-ylcarbothioyl-3-nitro-benzamide
- STK248450
- ZINC00450541
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
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 |
|---|---|---|---|---|
| Trypanosoma cruzi | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Brugia malayi | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Leishmania major | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Onchocerca volvulus | Elongation of very long chain fatty acids protein homolog | 0.0017 | 0.0634 | 1 |
| Echinococcus multilocularis | elongation of very long chain fatty acids | 0.0017 | 0.0634 | 1 |
| Onchocerca volvulus | 0.0017 | 0.0634 | 1 | |
| Toxoplasma gondii | GNS1/SUR4 family protein | 0.0082 | 1 | 1 |
| Schistosoma mansoni | elongation of fatty acids protein 1 | 0.0017 | 0.0634 | 1 |
| Loa Loa (eye worm) | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Plasmodium falciparum | fatty acid elongation protein, GNS1/SUR4 family, putative | 0.0082 | 1 | 1 |
| Echinococcus granulosus | elongation of very long chain fatty acids | 0.0017 | 0.0634 | 1 |
| Loa Loa (eye worm) | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Loa Loa (eye worm) | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Schistosoma mansoni | elongation of fatty acids protein 1 | 0.0017 | 0.0634 | 1 |
| Onchocerca volvulus | Elongation of very long chain fatty acids protein homolog | 0.0017 | 0.0634 | 1 |
| Toxoplasma gondii | integral membrane protein, GNS1/SUR4 family protein, putative | 0.0082 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0017 | 0.0634 | 0.0634 |
| Loa Loa (eye worm) | GNS1/SUR4 family protein | 0.0082 | 1 | 1 |
| Brugia malayi | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Echinococcus granulosus | elongation of very long chain fatty acids | 0.0017 | 0.0634 | 1 |
| Plasmodium falciparum | long chain fatty acid elongation enzyme, putative | 0.0082 | 1 | 1 |
| Onchocerca volvulus | 0.0017 | 0.0634 | 1 | |
| Schistosoma mansoni | elongation of fatty acids protein 1 | 0.0017 | 0.0634 | 1 |
| Schistosoma mansoni | fatty acid acyl transferase-related | 0.0017 | 0.0634 | 1 |
| Leishmania major | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Leishmania major | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Brugia malayi | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Loa Loa (eye worm) | GNS1/SUR4 family protein | 0.0017 | 0.0634 | 0.0634 |
| Schistosoma mansoni | elongation of fatty acids protein 1 | 0.0017 | 0.0634 | 1 |
| Brugia malayi | fatty acid elongation protein 3 | 0.0017 | 0.0634 | 0.0634 |
| Echinococcus multilocularis | elongation of very long chain fatty acids | 0.0017 | 0.0634 | 1 |
| Trypanosoma cruzi | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Trypanosoma cruzi | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Trypanosoma brucei | Fatty acid elongase | 0.0082 | 1 | 1 |
| Trypanosoma cruzi | fatty acid elongase, putative | 0.0082 | 1 | 1 |
| Brugia malayi | GNS1/SUR4 family protein | 0.0017 | 0.0634 | 0.0634 |
| Brugia malayi | Hypothetical 34.1 kDa protein C40H1.4 in chromosome III | 0.0017 | 0.0634 | 0.0634 |
| Loa Loa (eye worm) | ELO-9 protein | 0.0017 | 0.0634 | 0.0634 |
| Brugia malayi | GNS1/SUR4 family protein | 0.0082 | 1 | 1 |
| Loa Loa (eye worm) | fatty acid elongation protein 3 | 0.0082 | 1 | 1 |
| Plasmodium vivax | GNS1/SUR4 domain containing protein | 0.0082 | 1 | 1 |
| Onchocerca volvulus | Elongation of very long chain fatty acids protein 5 homolog | 0.0017 | 0.0634 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 2.2387 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 35.4813 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) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 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) | 89.1251 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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: CHEMBL1598507
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.