Detailed information for compound 762112
Basic information
Technical information
- TDR Targets ID: 762112
- Name: 2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetami de
- MW: 297.171 | Formula: C11H9BrN2OS
-
H donors: 1
H acceptors: 2
LogP: 2.15
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=O)Cc1scc(n1)c1ccc(cc1)Br
- InChi: 1S/C11H9BrN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
- InChiKey: RLOFEQQGBMPQSA-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[4-(4-bromophenyl)thiazol-2-yl]acetamide
- 2-[4-(4-bromophenyl)-2-thiazolyl]acetamide
- 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethanamide
- Oprea1_279640
- ZINC00129808
- A2569/0109479
- Oprea1_285768
- Acetamide, 2-[4-(4-bromophenyl)-2-thiazolyl]-
- MLS000681498
- SMR000269176
- TimTec1_002806
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 |
|---|---|---|---|---|
| Schistosoma mansoni | hypothetical protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | BAR/SH3 domain containing protein | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | growth factor receptor bound protein 2 | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | sorbin | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | nostrin | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | 3'partial|tyrosine protein kinase Fgr | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Btk29A | 0.0061 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | dynamin-associated protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | rho guanine nucleotide exchange factor 7 | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Brugia malayi | Tyrosine-protein kinase abl-1 | 0.0061 | 1 | 1 |
| Echinococcus granulosus | growth factor receptor bound protein 2 | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src42A | 0.0061 | 1 | 1 |
| Schistosoma mansoni | dreadlocks/dock | 0.0061 | 1 | 1 |
| Echinococcus granulosus | intersectin 2 | 0.0061 | 1 | 1 |
| Schistosoma mansoni | slit-robo rho gtpase activating protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | development and differentiation-enhancing factor ddef | 0.0061 | 1 | 1 |
| Onchocerca volvulus | 0.0061 | 1 | 1 | |
| Brugia malayi | Sex muscle abnormal protein 5 | 0.0061 | 1 | 1 |
| Echinococcus granulosus | fch and double sh3 domains protein 2 | 0.0061 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Lyn | 0.0061 | 1 | 1 |
| Echinococcus granulosus | NCK adaptor protein | 0.0061 | 1 | 1 |
| Onchocerca volvulus | 0.0061 | 1 | 1 | |
| Schistosoma mansoni | adapter molecule crk | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Onchocerca volvulus | 0.0061 | 1 | 1 | |
| Schistosoma mansoni | eps8-related protein | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus granulosus | nostrin | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | breast cancer anti estrogen resistance protein | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | C-fyn | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | protein-tyrosine kinase | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Entamoeba histolytica | BAR/SH3 domain containing protein | 0.0061 | 1 | 0.5 |
| Brugia malayi | Fes/CIP4 homology domain containing protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fgr | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | NCK adaptor protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | epidermal growth factor receptor kinase | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | protein kinase C and casein kinase substrate in neurons protein 2 | 0.0061 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src64B | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | fch and double sh3 domains protein 2 | 0.0061 | 1 | 1 |
| Brugia malayi | Guanylate kinase family protein | 0.0061 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | endophilin A3 | 0.0061 | 1 | 1 |
| Echinococcus granulosus | endophilin A3 | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | SRC-1 | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus granulosus | c src tyrosine kinase | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn tyrosine protein kinase blk | 0.0061 | 1 | 1 |
| Echinococcus granulosus | expressed protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | slit robo rho gtpase activating protein 1 | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | p53BP2 | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | intersectin 2 | 0.0061 | 1 | 1 |
| Brugia malayi | Src substrate cortactin | 0.0061 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Src42A | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | Spectrin alpha actinin | 0.0061 | 1 | 1 |
| Schistosoma mansoni | tyrosine kinase | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Onchocerca volvulus | Putative cortactin | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | variant SH3 domain-containing protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | nck2/grb4 | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Src64B | 0.0061 | 1 | 1 |
| Brugia malayi | Spectrin alpha chain | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | hematopoietic lineage cell specific protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Echinococcus granulosus | arf GAP with SH3 domain ANK repeat and PH | 0.0061 | 1 | 1 |
| Trypanosoma brucei | conserved protein | 0.0061 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | transfer RNA-Ala | 0.0061 | 1 | 1 |
| Schistosoma mansoni | run and tbc1 domain containing | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | variant SH3 domain-containing protein | 0.0061 | 1 | 1 |
| Onchocerca volvulus | 0.0061 | 1 | 1 | |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | guanylate kinase | 0.0061 | 1 | 1 |
| Onchocerca volvulus | 0.0061 | 1 | 1 | |
| Echinococcus multilocularis | c src tyrosine kinase | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | slit robo rho gtpase activating protein 1 | 0.0061 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | tyrosine protein kinase Abl | 0.0061 | 1 | 1 |
| Brugia malayi | SH3 domain containing protein | 0.0061 | 1 | 1 |
| Trypanosoma cruzi | paraflagellar rod protein 5, putative | 0.0061 | 1 | 0.5 |
| Echinococcus granulosus | tyrosine protein kinase Btk29A | 0.0061 | 1 | 1 |
| Schistosoma mansoni | growth factor receptor-bound protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | proto oncogene tyrosine protein kinase LCK | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Brugia malayi | SRC-1 | 0.0061 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | rho guanine nucleotide exchange factor 7 | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase abl1 | 0.0061 | 1 | 1 |
| Echinococcus granulosus | proto oncogene tyrosine protein kinase LCK | 0.0061 | 1 | 1 |
| Schistosoma mansoni | cell polarity protein | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | Spectrin alpha actinin | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | expressed protein | 0.0061 | 1 | 1 |
| Trichomonas vaginalis | neutrophil cytosolic factor 2, neutrophil NADPH oxidase factor, putative | 0.0061 | 1 | 0.5 |
| Trichomonas vaginalis | p67phox protein, putative | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | formin binding protein and related proteins | 0.0061 | 1 | 1 |
| Schistosoma mansoni | signal transducing adapter molecule (stam) | 0.0061 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | apoptosis stimulating of P53 | 0.0061 | 1 | 1 |
| Schistosoma mansoni | growth factor receptor-bound protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | proto-oncogene tyrosine-protein kinase src | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | thyroid receptor interactor | 0.0061 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Trypanosoma cruzi | hypothetical protein, conserved | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | tyrosine kinase | 0.0061 | 1 | 1 |
| Brugia malayi | Peripheral plasma membrane protein CASK | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | unconventional myosin IB | 0.0061 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Schistosoma mansoni | sh3-containing grb2-like protein 1 (endophilin II) | 0.0061 | 1 | 1 |
| Echinococcus granulosus | hematopoietic lineage cell specific protein | 0.0061 | 1 | 1 |
| Echinococcus granulosus | src region | 0.0061 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0061 | 1 | 1 |
| Echinococcus granulosus | tyrosine protein kinase Fyn | 0.0061 | 1 | 1 |
| Echinococcus granulosus | breast cancer anti estrogen resistance protein | 0.0061 | 1 | 1 |
| Entamoeba histolytica | protein kinase, putative | 0.0061 | 1 | 0.5 |
| Loa Loa (eye worm) | sex muscle abnormal protein 5 | 0.0061 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0061 | 1 | 1 |
| Schistosoma mansoni | Dab2-interacting protein-like | 0.0061 | 1 | 1 |
| Onchocerca volvulus | LIM and SH3 domain protein homolog | 0.0061 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0061 | 1 | 0.5 |
| Echinococcus multilocularis | arf GAP with SH3 domain, ANK repeat and PH | 0.0061 | 1 | 1 |
| Schistosoma mansoni | sorting nexin | 0.0061 | 1 | 1 |
| Echinococcus granulosus | epidermal growth factor receptor kinase | 0.0061 | 1 | 1 |
| Brugia malayi | Variant SH3 domain containing protein | 0.0061 | 1 | 1 |
| Echinococcus multilocularis | tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase | 0.0061 | 1 | 1 |
| Brugia malayi | Myosin tail family protein | 0.0061 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 9.285 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) | = 11.2202 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 37.933 uM | PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] | ChEMBL. | No reference |
| Potency (functional) | 112.2018 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | 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: CHEMBL1609713
- 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.