Detailed information for compound 721264
Basic information
Technical information
- TDR Targets ID: 721264
- Name: 3-[4-(4-bromo-2-chlorophenoxy)butyl]-5,5-dime thylimidazolidine-2,4-dione
- MW: 389.672 | Formula: C15H18BrClN2O3
-
H donors: 1
H acceptors: 2
LogP: 3.43
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: Brc1ccc(c(c1)Cl)OCCCCN1C(=O)NC(C1=O)(C)C
- InChi: 1S/C15H18BrClN2O3/c1-15(2)13(20)19(14(21)18-15)7-3-4-8-22-12-6-5-10(16)9-11(12)17/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,21)
- InChiKey: AINDWYSTIJMWNY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-[4-(4-bromo-2-chloro-phenoxy)butyl]-5,5-dimethyl-imidazolidine-2,4-dione
- 3-[4-(4-bromo-2-chloro-phenoxy)butyl]-5,5-dimethyl-hydantoin
- MLS000536975
- SMR000143612
- T5950886
- ZINC02862735
- 3-[4-(4-bromo-2-chlorophenoxy)butyl]-5,5-dimethyl-2,4-imidazolidinedione
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | bromodomain adjacent to zinc finger domain, 2B | Starlite/ChEMBL | No references |
| Influenza A virus | Nonstructural protein 1 | 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
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Hypothetical protein | Nonstructural protein 1 | 230 aa | 202 aa | 23.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Brugia malayi | Bromodomain containing protein | 0.0046 | 0.3249 | 0.2673 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 0.9107 |
| Loa Loa (eye worm) | hypothetical protein | 0.0046 | 0.3262 | 0.3541 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.7857 | 0.7673 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.7857 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.7857 | 1 |
| Echinococcus granulosus | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3281 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.7857 | 0.7673 |
| Schistosoma mansoni | acetyl-CoA C-acetyltransferase | 0.0027 | 0.0351 | 0.0447 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.7857 | 0.7673 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0043 | 0.2814 | 0.3281 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.7857 | 0.8527 |
| Echinococcus multilocularis | bromodomain adjacent to zinc finger domain | 0.0072 | 0.7186 | 0.9107 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.7857 | 1 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.7857 | 0.8527 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.7857 | 0.8527 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.4049 | 0.4395 |
| Loa Loa (eye worm) | hypothetical protein | 0.0049 | 0.3698 | 0.4014 |
| Loa Loa (eye worm) | hypothetical protein | 0.0085 | 0.9213 | 1 |
| Schistosoma mansoni | bromodomain containing protein | 0.0076 | 0.7844 | 0.9985 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.9811 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 25.1189 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 29.0929 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) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] | ChEMBL. | No reference |
| Potency (functional) | 32.6294 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) | 35.4813 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 84.9214 uM | PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) | 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: CHEMBL1341170
- 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.