Detailed information for compound 1528524
Basic information
Technical information
- TDR Targets ID: 1528524
- Name: N-(4-bromo-2-fluorophenyl)-4-methoxy-3-pyrrol idin-1-ylsulfonylbenzamide
- MW: 457.314 | Formula: C18H18BrFN2O4S
-
H donors: 1
H acceptors: 3
LogP: 3.16
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)Nc1ccc(cc1F)Br
- InChi: 1S/C18H18BrFN2O4S/c1-26-16-7-4-12(10-17(16)27(24,25)22-8-2-3-9-22)18(23)21-15-6-5-13(19)11-14(15)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)
- InChiKey: AWAMOCLBBRMSBF-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(4-bromo-2-fluoro-phenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzamide
- N-(4-bromo-2-fluorophenyl)-4-methoxy-3-1-pyrrolidinylsulfonylbenzamide
- T5279544
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 eta, putative | 0.0054 | 0.5783 | 1 |
| Echinococcus granulosus | dna polymerase eta | 0.0054 | 0.5783 | 0.5783 |
| Echinococcus multilocularis | dna polymerase eta | 0.0054 | 0.5783 | 0.5783 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 0 | 0.5 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0038 | 0.2762 | 0.4775 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | DNA polymerase eta | 0.0054 | 0.5783 | 0.5783 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0054 | 0.5783 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Giardia lamblia | DINP protein human, muc B family | 0.0023 | 0 | 0.5 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.5783 | 0.5783 |
| Brugia malayi | TAR-binding protein | 0.0076 | 1 | 1 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 0 | 0.5 |
| Leishmania major | DNA polymerase eta, putative | 0.0038 | 0.2762 | 0.4775 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 0 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 0 | 0.5 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 1 | 1 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0054 | 0.5783 | 0.5783 |
| Toxoplasma gondii | ImpB/MucB/SamB family protein | 0.0038 | 0.2762 | 0.5 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 1 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 1 | 1 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 0 | 0.5 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 1 | 1 |
| Leishmania major | DNA polymerase eta, putative | 0.0054 | 0.5783 | 1 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.1623 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 3.9811 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | ChEMBL. | No reference |
| Potency (functional) | 10.4179 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) | 18.526 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] | ChEMBL. | No reference |
| Potency (functional) | 35.4813 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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: CHEMBL1706929
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.