Detailed information for compound 1707450
Basic information
Technical information
- TDR Targets ID: 1707450
- Name: 1-[(4-chlorophenyl)methyl]-3-(furan-2-ylmethy l)-[1]benzothiolo[2,3-e]pyrimidine-2,4-dione
- MW: 422.884 | Formula: C22H15ClN2O3S
-
H donors: 0
H acceptors: 2
LogP: 4.88
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)Cn1c(=O)n(Cc2ccco2)c(=O)c2c1c1ccccc1s2
- InChi: 1S/C22H15ClN2O3S/c23-15-9-7-14(8-10-15)12-24-19-17-5-1-2-6-18(17)29-20(19)21(26)25(22(24)27)13-16-4-3-11-28-16/h1-11H,12-13H2
- InChiKey: VJSIDOQKEYFLIL-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 1-[(4-chlorophenyl)methyl]-3-(2-furylmethyl)benzothiopheno[2,3-e]pyrimidine-2,4-dione
- 1-(4-chlorobenzyl)-3-(2-furylmethyl)benzothiopheno[2,3-e]pyrimidine-2,4-quinone
- C200-4030
- NCGC00105349-01
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Bacillus subtilis (strain 168) | ATP-dependent Clp protease proteolytic subunit | 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
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Plasmodium vivax | stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative | 0.0905 | 0.8906 | 1 |
| Mycobacterium tuberculosis | Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f | 0.0102 | 0.0271 | 0.5 |
| Echinococcus granulosus | Fatty acid desaturase type 1 | 0.0102 | 0.0271 | 1 |
| Mycobacterium ulcerans | electron transfer protein FdxB | 0.0102 | 0.0271 | 1 |
| Brugia malayi | Fatty acid desaturase family protein | 0.0102 | 0.0271 | 0.0305 |
| Loa Loa (eye worm) | FAT-3 protein | 0.0102 | 0.0271 | 0.0305 |
| Loa Loa (eye worm) | hypothetical protein | 0.0102 | 0.0271 | 0.0305 |
| Echinococcus granulosus | Sphingolipid delta4 desaturase DES1 | 0.0102 | 0.0271 | 1 |
| Echinococcus multilocularis | Fatty acid desaturase, type 1 | 0.0102 | 0.0271 | 1 |
| Schistosoma mansoni | peptidase Clp (S14 family) | 0.0094 | 0.0193 | 0.7102 |
| Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0102 | 0.0271 | 1 |
| Schistosoma mansoni | fatty acid desaturase | 0.0102 | 0.0271 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0094 | 0.0193 | 0.0216 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.0905 | 0.8906 | 0.8876 |
| Brugia malayi | Delta5 fatty acid desaturase | 0.0102 | 0.0271 | 0.0305 |
| Mycobacterium tuberculosis | Probable conserved membrane protein | 0.0102 | 0.0271 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.5 |
| Onchocerca volvulus | 0.1007 | 1 | 1 | |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.5 |
| Chlamydia trachomatis | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0102 | 0.0271 | 1 |
| Mycobacterium tuberculosis | Possible electron transfer protein FdxB | 0.0102 | 0.0271 | 0.5 |
| Plasmodium falciparum | stearoyl-CoA desaturase | 0.0905 | 0.8906 | 1 |
| Echinococcus multilocularis | ATP dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.7102 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.1007 | 1 | 1 |
| Loa Loa (eye worm) | fatty acid desaturase | 0.0102 | 0.0271 | 0.0305 |
| Echinococcus granulosus | ATP dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.7102 |
| Brugia malayi | Fatty acid desaturase family protein | 0.0102 | 0.0271 | 0.0305 |
| Mycobacterium leprae | PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) | 0.0094 | 0.0193 | 0.5 |
| Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3_2 | 0.0102 | 0.0271 | 1 |
| Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0102 | 0.0271 | 1 |
| Loa Loa (eye worm) | fatty acid desaturase | 0.0102 | 0.0271 | 0.0305 |
| Echinococcus multilocularis | Peptidase M, neutral zinc metallopeptidases, zinc binding site | 0.0102 | 0.0271 | 1 |
| Treponema pallidum | ATP-dependent Clp protease proteolytic subunit | 0.0094 | 0.0193 | 0.5 |
| Leishmania major | fatty-acid desaturase, putative | 0.1007 | 1 | 1 |
| Loa Loa (eye worm) | acyl-CoA desaturase | 0.0905 | 0.8906 | 1 |
| Onchocerca volvulus | 0.1007 | 1 | 1 | |
| Trypanosoma brucei | fatty acid desaturase, putative | 0.1007 | 1 | 1 |
| Brugia malayi | acyl-CoA desaturase | 0.0905 | 0.8906 | 1 |
| Trypanosoma cruzi | fatty acid desaturase, putative | 0.0905 | 0.8906 | 0.8876 |
| Mycobacterium ulcerans | linoleoyl-CoA desaturase, DesA3 | 0.0102 | 0.0271 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0102 | 0.0271 | 1 |
| Brugia malayi | Probable ClpP-like protease | 0.0094 | 0.0193 | 0.0216 |
| Toxoplasma gondii | sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein | 0.0102 | 0.0271 | 1 |
| Mycobacterium ulcerans | transmembrane alkane 1-monooxygenase AlkB | 0.0102 | 0.0271 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS Assay for Activators of ClpP. (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: CHEMBL2130618
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.