Detailed information for compound 1728733
Basic information
Technical information
- Name: Unnamed compound
- MW: 350.246 | Formula: C16H17Cl2N5
-
H donors: 1
H acceptors: 3
LogP: 3.94
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1cccc(c1Cl)Cc1nn(c2c1c(N)ncn2)C(C)(C)C
- InChi: 1S/C16H17Cl2N5/c1-16(2,3)23-15-12(14(19)20-8-21-15)11(22-23)7-9-5-4-6-10(17)13(9)18/h4-6,8H,7H2,1-3H3,(H2,19,20,21)
- InChiKey: OXDASQFBOLRAQY-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | endoplasmin | 0.105656 | 1 | 1 |
| Toxoplasma gondii | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Mycobacterium tuberculosis | Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) | 0.0805786 | 0.597597 | 0.5 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Mycobacterium leprae | PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) | 0.0805786 | 0.597597 | 0.5 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.0805786 | 0.597597 | 0.597597 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0805786 | 0.597597 | 0.597597 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Schistosoma mansoni | heat shock protein | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Plasmodium falciparum | heat shock protein 90 | 0.105656 | 1 | 1 |
| Brugia malayi | heat shock protein 90 | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Onchocerca volvulus | Heat shock protein 75 kDa, mitochondrial homolog | 0.0433365 | 0 | 0.5 |
| Trypanosoma brucei | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0805786 | 0.597597 | 0.597597 |
| Schistosoma mansoni | endoplasmin | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Echinococcus granulosus | heat shock protein heat shock protein 90 alpha | 0.0805786 | 0.597597 | 0.597597 |
| Schistosoma mansoni | endoplasmin | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein 90 | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Echinococcus granulosus | endoplasmin | 0.0805786 | 0.597597 | 0.597597 |
| Trypanosoma cruzi | Heat shock protein 83, putative | 0.105656 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0805786 | 0.597597 | 0.597597 |
| Leishmania major | lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative | 0.0805786 | 0.597597 | 0.597597 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Schistosoma mansoni | heat shock protein | 0.105656 | 1 | 1 |
| Treponema pallidum | heat shock protein 90 | 0.0805786 | 0.597597 | 0.5 |
| Echinococcus multilocularis | heat shock protein | 0.105656 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Trypanosoma brucei | Heat shock protein 83, putative | 0.105656 | 1 | 1 |
| Echinococcus multilocularis | heat shock protein 90 | 0.0805786 | 0.597597 | 0.597597 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | heat shock protein 90 | 0.0805786 | 0.597597 | 0.5 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Brugia malayi | Endoplasmin precursor | 0.105656 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trichomonas vaginalis | endoplasmin, putative | 0.0684142 | 0.402403 | 0.402403 |
| Plasmodium vivax | endoplasmin, putative | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 85, putative | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.0684142 | 0.402403 | 0.402403 |
| Loa Loa (eye worm) | heat shock protein 90 | 0.105656 | 1 | 1 |
| Toxoplasma gondii | heat shock protein HSP90 | 0.105656 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 90 | 0.105656 | 1 | 1 |
| Entamoeba histolytica | heat shock protein 90, putative | 0.105656 | 1 | 1 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0805786 | 0.597597 | 0.597597 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Echinococcus granulosus | heat shock protein 90 | 0.0805786 | 0.597597 | 0.597597 |
| Plasmodium falciparum | endoplasmin, putative | 0.0684142 | 0.402403 | 0.402403 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Plasmodium vivax | heat shock protein 86, putative | 0.105656 | 1 | 1 |
| Echinococcus multilocularis | endoplasmin | 0.0805786 | 0.597597 | 0.597597 |
| Trypanosoma brucei | heat shock protein, putative | 0.105656 | 1 | 1 |
| Trichomonas vaginalis | heat shock protein, putative | 0.105656 | 1 | 1 |
| Mycobacterium ulcerans | heat shock protein 90 | 0.0805786 | 0.597597 | 0.5 |
| Echinococcus granulosus | heat shock protein | 0.105656 | 1 | 1 |
| Leishmania major | heat shock protein 83-1 | 0.105656 | 1 | 1 |
| Trypanosoma cruzi | heat shock protein 90, putative | 0.0623198 | 0.304612 | 0.304612 |
| Giardia lamblia | Heat shock protein HSP 90-alpha | 0.105656 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| EC50 (functional) | = 0.38 uM | Antiparasitic activity against wild type tachyzoites of Toxoplasma gondii RH type 1 infected in HFF cells incubated for 20 mins prior to inoculation followed by compound washout at 4 hrs measured after 72 hrs by beta-galactoside reporter assay | ChEMBL. | 23470217 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Toxoplasma gondii | 23470217 |
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: CHEMBL2324603
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.