Detailed information for compound 1635724
Basic information
Technical information
- Name: Unnamed compound
- MW: 407.939 | Formula: C23H26ClN5
-
H donors: 1
H acceptors: 2
LogP: 4.38
Rotable bonds: 5
Rule of 5 violations (Lipinski): 1 - SMILES: CN1CCN(CC1)Cc1ccc(cc1)Nc1ncc(c(n1)c1cccc(c1)Cl)C
- InChi: 1S/C23H26ClN5/c1-17-15-25-23(27-22(17)19-4-3-5-20(24)14-19)26-21-8-6-18(7-9-21)16-29-12-10-28(2)11-13-29/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,27)
- InChiKey: ZKCYSGROENURLJ-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 | AXL receptor tyrosine kinase | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Schistosoma japonicum | IPR008957,Fibronectin, type III-like fold,domain-containing | Get druggable targets OG5_132328 | All targets in OG5_132328 |
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 |
|---|---|---|---|---|
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.005 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.005 | 1 | 1 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0036 | 0.6891 | 0.6891 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.005 | 1 | 1 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.005 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.005 | 1 | 1 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0036 | 0.6891 | 0.6891 |
| Echinococcus granulosus | insulin growth factor 1 receptor beta | 0.0007 | 0.0382 | 0.0382 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0036 | 0.6891 | 0.5 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.0033 | 0.6033 | 0.5 |
| Schistosoma mansoni | ephrin receptor | 0.0007 | 0.0382 | 0.0382 |
| Brugia malayi | Inositol-1 | 0.0036 | 0.6891 | 0.6891 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.005 | 1 | 1 |
| Brugia malayi | protein unc-22 | 0.0006 | 0.0102 | 0.0102 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.005 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0036 | 0.6891 | 0.5 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0006 | 0.0102 | 0.0102 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0006 | 0.0102 | 0.0102 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.005 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.005 | 1 | 1 |
| Loa Loa (eye worm) | CAMK protein kinase | 0.0006 | 0.0102 | 0.0102 |
| Brugia malayi | Immunoglobulin I-set domain containing protein | 0.0006 | 0.0102 | 0.0102 |
| Schistosoma mansoni | titin | 0.0006 | 0.0102 | 0.0102 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.0033 | 0.6033 | 0.5 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0036 | 0.6891 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.005 | 1 | 1 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0036 | 0.6891 | 0.6891 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0036 | 0.6891 | 0.6891 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.005 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.005 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.005 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.005 | 1 | 1 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.005 | 1 | 1 |
| Onchocerca volvulus | 0.0006 | 0.0102 | 1 | |
| Echinococcus multilocularis | titin | 0.0006 | 0.0102 | 0.0102 |
| Schistosoma mansoni | inositol monophosphatase | 0.0036 | 0.6891 | 0.6891 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.005 | 1 | 1 |
| Echinococcus granulosus | titin | 0.0006 | 0.0102 | 0.0102 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0036 | 0.6891 | 0.6891 |
| Trypanosoma brucei | protein kinase, putative | 0.005 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.005 | 1 | 1 |
| Echinococcus multilocularis | insulin growth factor 1 receptor beta | 0.0007 | 0.0382 | 0.0382 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.005 | 1 | 1 |
| Loa Loa (eye worm) | CAMK/MLCK protein kinase | 0.0006 | 0.0102 | 0.0102 |
| Loa Loa (eye worm) | inositol-1 | 0.0036 | 0.6891 | 0.6891 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.005 | 1 | 1 |
| Echinococcus granulosus | titin | 0.0006 | 0.0102 | 0.0102 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0036 | 0.6891 | 0.6891 |
| Schistosoma mansoni | inositol monophosphatase | 0.0036 | 0.6891 | 0.6891 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.44 uM | Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled poly-GT as substrate after 60 mins by TR-FRET analysis | ChEMBL. | 22247788 |
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: CHEMBL2022963
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.