Detailed information for compound 1495022
Basic information
Technical information
- TDR Targets ID: 1495022
- Name: N-(3-methoxyphenyl)-3-[(3-methyl-2-oxo-1,3-be nzoxazol-6-yl)sulfonylamino]propanamide
- MW: 405.425 | Formula: C18H19N3O6S
-
H donors: 2
H acceptors: 4
LogP: 1.06
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: COc1cccc(c1)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
- InChi: 1S/C18H19N3O6S/c1-21-15-7-6-14(11-16(15)27-18(21)23)28(24,25)19-9-8-17(22)20-12-4-3-5-13(10-12)26-2/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,22)
- InChiKey: JFWVKXDVQRQLKY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-N-(3-methoxyphenyl)propionamide
- C697-0912
- NCGC00111959-01
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polymerase (DNA directed) iota | 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 | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 1 | 0.5 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Leishmania major | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | unspecified product | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 1 | 0.5 |
| Leishmania major | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0023 | 1 | 0.5 |
| Echinococcus multilocularis | dna polymerase eta | 0.0023 | 1 | 0.5 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 1 | 0.5 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Giardia lamblia | DINP protein human, muc B family | 0.0023 | 1 | 0.5 |
| Schistosoma mansoni | DNA polymerase eta | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0023 | 1 | 0.5 |
| Echinococcus granulosus | dna polymerase kappa | 0.0023 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0023 | 1 | 0.5 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 1 | 0.5 |
| Echinococcus granulosus | dna polymerase eta | 0.0023 | 1 | 0.5 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0023 | 1 | 0.5 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 7.3753 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 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) | 89.1251 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
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | ChEMBL23 |
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: CHEMBL1714188
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.