Detailed information for compound 1014576
Basic information
Technical information
- Name: Unnamed compound
- MW: 446.889 | Formula: C23H19ClN6O2
-
H donors: 2
H acceptors: 4
LogP: 3.3
Rotable bonds: 8
Rule of 5 violations (Lipinski): 1 - SMILES: N#Cc1ccc(c(c1)C(=O)Nc1ccc(cn1)Cl)NC(=O)c1ccc(cc1)C(=N)N(C)C
- InChi: 1S/C23H19ClN6O2/c1-30(2)21(26)15-4-6-16(7-5-15)22(31)28-19-9-3-14(12-25)11-18(19)23(32)29-20-10-8-17(24)13-27-20/h3-11,13,26H,1-2H3,(H,28,31)(H,27,29,32)
- InChiKey: TXKBLIHNLCCVGC-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | coagulation factor X | Starlite/ChEMBL | 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 | tar DNA-binding protein | 0.0064 | 1 | 1 |
| Echinococcus multilocularis | lamin | 0.0027 | 0.2561 | 0.2337 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0027 | 0.2561 | 0.2561 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0292 | 0.0292 |
| Onchocerca volvulus | 0.0027 | 0.2561 | 1 | |
| Echinococcus granulosus | intermediate filament protein | 0.0027 | 0.2561 | 0.2337 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0292 | 0.0292 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 1 | 1 |
| Brugia malayi | Low-density lipoprotein receptor repeat class B containing protein | 0.0016 | 0.0292 | 0.0292 |
| Brugia malayi | hypothetical protein | 0.0037 | 0.4403 | 0.4403 |
| Schistosoma mansoni | lamin | 0.0027 | 0.2561 | 0.2337 |
| Echinococcus multilocularis | lamin dm0 | 0.0027 | 0.2561 | 0.2337 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0037 | 0.4403 | 0.4235 |
| Echinococcus granulosus | tar DNA binding protein | 0.0064 | 1 | 1 |
| Loa Loa (eye worm) | low-density lipoprotein receptor repeat class B containing protein | 0.0016 | 0.0292 | 0.0292 |
| Brugia malayi | Calcium binding EGF domain containing protein | 0.0016 | 0.0292 | 0.0292 |
| Schistosoma mansoni | hypothetical protein | 0.0037 | 0.4403 | 0.4235 |
| Echinococcus multilocularis | musashi | 0.0027 | 0.2561 | 0.2337 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0292 | 0.0292 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0037 | 0.4403 | 0.4235 |
| Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.246 | 0.246 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0064 | 1 | 1 |
| Echinococcus granulosus | lamin dm0 | 0.0027 | 0.2561 | 0.2337 |
| Brugia malayi | intermediate filament protein | 0.0027 | 0.2561 | 0.2561 |
| Loa Loa (eye worm) | hypothetical protein | 0.0027 | 0.2561 | 0.2561 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.4403 | 0.5 |
| Loa Loa (eye worm) | multiple epidermal growth factor-like domains 6 | 0.0016 | 0.0292 | 0.0292 |
| Schistosoma mansoni | intermediate filament proteins | 0.0027 | 0.2561 | 0.2337 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0027 | 0.2561 | 0.2561 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0064 | 1 | 1 |
| Toxoplasma gondii | calcium binding egf domain-containing protein | 0.0016 | 0.0292 | 0.5 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0064 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0027 | 0.2561 | 0.2337 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.4403 | 0.5 |
| Loa Loa (eye worm) | bone morphogenetic protein 1b | 0.0016 | 0.0292 | 0.0292 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0292 | 0.0292 |
| Toxoplasma gondii | calcium binding egf domain-containing protein | 0.0016 | 0.0292 | 0.5 |
| Brugia malayi | Fibulin-1 precursor | 0.0016 | 0.0292 | 0.0292 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0064 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0016 | 0.0292 | 0.0292 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.4403 | 0.5 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0037 | 0.4403 | 0.4235 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0037 | 0.4403 | 0.5 |
| Brugia malayi | TAR-binding protein | 0.0064 | 1 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0064 | 1 | 1 |
| Onchocerca volvulus | 0.0027 | 0.2561 | 1 | |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0027 | 0.2561 | 0.2561 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0064 | 1 | 1 |
| Schistosoma mansoni | lamin | 0.0027 | 0.2561 | 0.2337 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1.2 nM | Inhibition of Factor 10a | ChEMBL. | 19297154 |
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: CHEMBL516082
Bibliographic References
1 literature reference was collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.