Detailed information for compound 139890
Basic information
Technical information
- Name: Unnamed compound
- MW: 350.82 | Formula: C16H15ClN2O3S
-
H donors: 1
H acceptors: 3
LogP: 2.97
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Cc1ccc(cc1)C1NC(=O)N(C1)S(=O)(=O)c1ccc(cc1)Cl
- InChi: 1S/C16H15ClN2O3S/c1-11-2-4-12(5-3-11)15-10-19(16(20)18-15)23(21,22)14-8-6-13(17)7-9-14/h2-9,15H,10H2,1H3,(H,18,20)
- InChiKey: BLMREXKWWLHUKZ-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
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 | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Brugia malayi | geranylgeranyl pyrophosphate synthetase | 0.0084 | 0.2274 | 0.2274 |
| Chlamydia trachomatis | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.5 |
| Plasmodium vivax | geranylgeranyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Schistosoma mansoni | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.2274 |
| Echinococcus granulosus | decaprenyl diphosphate synthase subunit 1 | 0.0084 | 0.2274 | 0.2274 |
| Echinococcus granulosus | prenyl decaprenyl diphosphate synthase | 0.0084 | 0.2274 | 0.2274 |
| Schistosoma mansoni | retinoblastoma-binding protein 4 (rbbp4) | 0.0011 | 0.0003 | 0.0003 |
| Giardia lamblia | Farnesyl diphosphate synthase | 0.0332 | 1 | 0.5 |
| Trichomonas vaginalis | geranylgeranyl pyrophosphate synthase, putative | 0.0332 | 1 | 0.5 |
| Plasmodium falciparum | geranylgeranyl pyrophosphate synthase, putative | 0.0332 | 1 | 1 |
| Echinococcus multilocularis | nuclear factor of activated T cells 5 | 0.0055 | 0.1376 | 0.1376 |
| Echinococcus multilocularis | prenyl (decaprenyl) diphosphate synthase | 0.0084 | 0.2274 | 0.2274 |
| Loa Loa (eye worm) | polyprenyl synthetase | 0.0084 | 0.2274 | 0.2272 |
| Trichomonas vaginalis | geranylgeranyl pyrophosphate synthase, putative | 0.0332 | 1 | 0.5 |
| Loa Loa (eye worm) | geranylgeranyl pyrophosphate synthetase | 0.0084 | 0.2274 | 0.2272 |
| Echinococcus granulosus | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.2274 |
| Mycobacterium leprae | PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) | 0.0084 | 0.2274 | 0.5 |
| Schistosoma mansoni | glutathione synthetase | 0.0084 | 0.2274 | 0.2274 |
| Echinococcus multilocularis | Ankyrin | 0.0011 | 0.0003 | 0.0003 |
| Mycobacterium ulcerans | geranylgeranyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Entamoeba histolytica | geranylgeranyl pyrophosphate synthase, putative | 0.0084 | 0.2274 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.5 |
| Entamoeba histolytica | bifunctional short chain isoprenyl diphosphate synthase, putative | 0.0084 | 0.2274 | 0.5 |
| Schistosoma mansoni | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Schistosoma mansoni | trans-prenyltransferase | 0.0084 | 0.2274 | 0.2274 |
| Trypanosoma brucei | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.5 |
| Echinococcus granulosus | nuclear factor of activated T cells 5 | 0.0055 | 0.1376 | 0.1376 |
| Echinococcus granulosus | Ankyrin | 0.0011 | 0.0003 | 0.0003 |
| Echinococcus multilocularis | geranylgeranyl pyrophosphate synthase | 0.0084 | 0.2274 | 0.2274 |
| Entamoeba histolytica | geranylgeranyl pyrophosphate synthetase, putative | 0.0084 | 0.2274 | 0.5 |
| Treponema pallidum | octaprenyl-diphosphate synthase | 0.0084 | 0.2274 | 0.5 |
| Trichomonas vaginalis | geranylgeranyl diphosphate synthase, putative | 0.0332 | 1 | 0.5 |
| Mycobacterium tuberculosis | Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) | 0.0332 | 1 | 1 |
| Mycobacterium ulcerans | geranylgeranyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Echinococcus multilocularis | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Echinococcus multilocularis | decaprenyl diphosphate synthase subunit 1 | 0.0084 | 0.2274 | 0.2274 |
| Toxoplasma gondii | polyprenyl synthetase superfamily protein | 0.0332 | 1 | 1 |
| Echinococcus granulosus | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Loa Loa (eye worm) | polyprenyl synthetase | 0.0332 | 1 | 1 |
| Trypanosoma cruzi | farnesyl pyrophosphate synthase, putative | 0.0332 | 1 | 1 |
| Leishmania major | farnesyl pyrophosphate synthase | 0.0332 | 1 | 1 |
| Brugia malayi | Polyprenyl synthetase family protein | 0.0084 | 0.2274 | 0.2274 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | = 123.48 uM | In vitro cytotoxic activity against human melanoma SK-MEL-2 cell line | ChEMBL. | No reference |
| IC50 (functional) | = 123.48 uM | In vitro cytotoxic activity against human melanoma SK-MEL-2 cell line | ChEMBL. | No reference |
| IC50 (functional) | = 158.26 uM | In vitro cytotoxic activity against human lung carcinoma A549 cell line | ChEMBL. | No reference |
| IC50 (functional) | = 158.26 uM | In vitro cytotoxic activity against human lung carcinoma A549 cell line | 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
No external resources registered for this compound
Bibliographic References
No literature references available for this target.
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