Detailed information for compound 1606844
Basic information
Technical information
- Name: Unnamed compound
- MW: 244.272 | Formula: C11H8N4OS
-
H donors: 1
H acceptors: 3
LogP: 0.91
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: NC(=O)c1nc2ccnn2c(c1)c1cccs1
- InChi: 1S/C11H8N4OS/c12-11(16)7-6-8(9-2-1-5-17-9)15-10(14-7)3-4-13-15/h1-6H,(H2,12,16)
- InChiKey: DOHPSTCWWHHDGL-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 | mitogen-activated protein kinase 8 | Starlite/ChEMBL | No references |
| Homo sapiens | CDC-like kinase 4 | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase kinase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | mitogen-activated protein kinase kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1B | Starlite/ChEMBL | No references |
| Homo sapiens | leukocyte receptor tyrosine kinase | Starlite/ChEMBL | No references |
| Homo sapiens | casein kinase 1, alpha 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Brugia malayi | Protein kinase domain containing protein | casein kinase 1, alpha 1 | 365 aa | 307 aa | 24.4 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative | 0.1035 | 1 | 1 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 10 | 0.0076 | 0.0274 | 0.2035 |
| Trypanosoma brucei | kinetoplastid kinetochore protein 19 | 0.0076 | 0.0274 | 0.2035 |
| Entamoeba histolytica | protein kinase domain containing protein | 0.0111 | 0.0626 | 0.0626 |
| Plasmodium vivax | serine/threonine kinase-1, putative | 0.0076 | 0.0274 | 0.0274 |
| Brugia malayi | Protein kinase domain containing protein | 0.0076 | 0.0274 | 0.0274 |
| Entamoeba histolytica | hypothetical protein | 0.0111 | 0.0626 | 0.0626 |
| Trypanosoma cruzi | mitogen-activated protein kinase kinase 5 | 0.0182 | 0.1346 | 1 |
| Trypanosoma brucei | mitogen-activated protein kinase kinase 5 | 0.0182 | 0.1346 | 1 |
| Mycobacterium tuberculosis | Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) | 0.0359 | 0.3149 | 0.5 |
| Trypanosoma brucei | CMGC/DYRK protein kinase, putative | 0.0111 | 0.0626 | 0.4653 |
| Leishmania major | mitogen-activated protein kinase kinase 5, putative;with=GeneDB:LmxM36.0860 | 0.0182 | 0.1346 | 1 |
| Loa Loa (eye worm) | CMGC/CLK protein kinase | 0.0076 | 0.0274 | 0.0274 |
| Chlamydia trachomatis | deoxyuridine 5'-triphosphate nucleotidohydrolase | 0.1035 | 1 | 1 |
| Leishmania major | protein kinase, putative | 0.0076 | 0.0274 | 0.2035 |
| Schistosoma mansoni | protein kinase | 0.0182 | 0.1346 | 0.1346 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein | 0.1035 | 1 | 1 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein | 0.1035 | 1 | 1 |
| Plasmodium falciparum | protein serine/threonine kinase-1 | 0.0076 | 0.0274 | 0.0274 |
| Entamoeba histolytica | hypothetical protein | 0.1035 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | dUTPase | 0.1035 | 1 | 1 |
| Mycobacterium leprae | PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) | 0.0359 | 0.3149 | 0.5 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0076 | 0.0274 | 0.2035 |
| Brugia malayi | Protein kinase domain containing protein | 0.0111 | 0.0626 | 0.0626 |
| Trichomonas vaginalis | STE family protein kinase | 0.0182 | 0.1346 | 0.1346 |
| Entamoeba histolytica | hypothetical protein | 0.0676 | 0.6356 | 0.6356 |
| Echinococcus multilocularis | dual specificity protein kinase clk2 | 0.0076 | 0.0274 | 0.0274 |
| Echinococcus multilocularis | dual specificity mitogen activated protein | 0.0182 | 0.1346 | 0.1346 |
| Echinococcus granulosus | dual specificity protein kinase clk2 | 0.0076 | 0.0274 | 0.0274 |
| Trichomonas vaginalis | STE family protein kinase | 0.0182 | 0.1346 | 0.1346 |
| Giardia lamblia | Kinase, STE STE20 | 0.0182 | 0.1346 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0281 | 0.2356 | 0.2356 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative | 0.1035 | 1 | 1 |
| Loa Loa (eye worm) | dUTP diphosphatase | 0.1035 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.1035 | 1 | 1 |
| Echinococcus granulosus | dual specificity | 0.0111 | 0.0626 | 0.0626 |
| Echinococcus multilocularis | c Jun NH2 terminal kinase | 0.0281 | 0.2356 | 0.2356 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein | 0.1035 | 1 | 1 |
| Toxoplasma gondii | cell-cycle-associated protein kinase CLK, putative | 0.0076 | 0.0274 | 0.0274 |
| Echinococcus granulosus | hypothetical protein | 0.0072 | 0.024 | 0.024 |
| Echinococcus multilocularis | dual specificity | 0.0111 | 0.0626 | 0.0626 |
| Loa Loa (eye worm) | hypothetical protein | 0.0333 | 0.2885 | 0.2885 |
| Echinococcus granulosus | dUTP pyrophosphatase | 0.1035 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0076 | 0.0274 | 0.2035 |
| Mycobacterium ulcerans | deoxycytidine triphosphate deaminase | 0.0359 | 0.3149 | 0.5 |
| Entamoeba histolytica | protein kinase, putative | 0.0111 | 0.0626 | 0.0626 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0111 | 0.0626 | 0.0626 |
| Treponema pallidum | deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) | 0.1035 | 1 | 0.5 |
| Schistosoma mansoni | deoxyuridine 5'-triphosphate nucleotidohydrolase | 0.1035 | 1 | 1 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 19, putative | 0.0076 | 0.0274 | 0.2035 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase, putative | 0.0359 | 0.3149 | 0.3149 |
| Mycobacterium ulcerans | deoxyuridine 5'-triphosphate nucleotidohydrolase | 0.0359 | 0.3149 | 0.5 |
| Plasmodium vivax | deoxyuridine 5'-triphosphate nucleotidohydrolase, putative | 0.1035 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/DYRK/DYRK1 protein kinase | 0.0111 | 0.0626 | 0.0626 |
| Entamoeba histolytica | hypothetical protein | 0.0676 | 0.6356 | 0.6356 |
| Brugia malayi | Stress-activated protein kinase jnk-1 | 0.0281 | 0.2356 | 0.2356 |
| Loa Loa (eye worm) | hypothetical protein | 0.0072 | 0.024 | 0.024 |
| Entamoeba histolytica | protein kinase, putative | 0.0111 | 0.0626 | 0.0626 |
| Trypanosoma cruzi | CMGC/DYRK protein kinase, putative | 0.0111 | 0.0626 | 0.4653 |
| Giardia lamblia | Kinase, CMGC CLK | 0.0076 | 0.0274 | 0.2035 |
| Plasmodium falciparum | deoxyuridine 5'-triphosphate nucleotidohydrolase | 0.1035 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0076 | 0.0274 | 0.0274 |
| Leishmania major | protein kinase, putative | 0.0076 | 0.0274 | 0.2035 |
| Echinococcus multilocularis | dUTP pyrophosphatase | 0.1035 | 1 | 1 |
| Echinococcus granulosus | c-Jun N-terminal kinases | 0.0281 | 0.2356 | 0.2356 |
| Trypanosoma cruzi | CMGC/DYRK protein kinase, putative | 0.0111 | 0.0626 | 0.4653 |
| Loa Loa (eye worm) | hypothetical protein | 0.0107 | 0.0592 | 0.0592 |
| Leishmania major | serine/threonine-protein kinase, putative,protein kinase, putative | 0.0111 | 0.0626 | 0.4653 |
| Loa Loa (eye worm) | STE/STE7/MEK1 protein kinase | 0.0182 | 0.1346 | 0.1346 |
| Toxoplasma gondii | deoxyuridine 5'-triphosphate nucleotidohydrolase, putative | 0.1035 | 1 | 1 |
| Brugia malayi | Dual specificity mitogen-activated protein kinase kinase mek-2 | 0.0182 | 0.1346 | 0.1346 |
| Trypanosoma cruzi | kinetoplastid kinetochore protein 10, putative | 0.0076 | 0.0274 | 0.2035 |
| Trichomonas vaginalis | STE family protein kinase | 0.0182 | 0.1346 | 0.1346 |
| Entamoeba histolytica | deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein | 0.1035 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/JNK protein kinase | 0.0281 | 0.2356 | 0.2356 |
| Loa Loa (eye worm) | hypothetical protein | 0.0107 | 0.0592 | 0.0592 |
| Brugia malayi | Protein kinase domain containing protein | 0.0335 | 0.2904 | 0.2904 |
| Echinococcus granulosus | dual specificity mitogen activated protein | 0.0182 | 0.1346 | 0.1346 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0076 | 0.0274 | 0.0274 |
| Echinococcus multilocularis | 0.0072 | 0.024 | 0.024 | |
| Onchocerca volvulus | 0.0049 | 0 | 0.5 | |
| Trichomonas vaginalis | deoxyuridine 5'-triphosphate nucleotidohydrolase, putative | 0.1035 | 1 | 1 |
| Loa Loa (eye worm) | TK/ALK protein kinase | 0.0335 | 0.2903 | 0.2903 |
| Entamoeba histolytica | hypothetical protein | 0.0359 | 0.3149 | 0.3149 |
| Entamoeba histolytica | deoxycytidine triphosphate deaminase, putative | 0.0359 | 0.3149 | 0.3149 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0076 | 0.0274 | 0.0274 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK2A | ChEMBL. | No reference |
| Ki (functional) | > 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSF1R | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKAA1 | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK14 | ChEMBL. | No reference |
| Ki (functional) | = 4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK1 | ChEMBL. | No reference |
| Ki (functional) | = 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: ALK | ChEMBL. | No reference |
| Ki (functional) | = 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: JAK2 | ChEMBL. | No reference |
| Ki (functional) | > 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1A | ChEMBL. | No reference |
| Ki (functional) | > 4.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PDGFRB | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: NTRK3 | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: KDR | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: STK6 | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FGFR1 | ChEMBL. | No reference |
| Ki (functional) | = 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PIM1 | ChEMBL. | No reference |
| Ki (functional) | > 4.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK9 | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: RET | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CDK5 | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKACA | ChEMBL. | No reference |
| Ki (functional) | = 4.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CAMK1D | ChEMBL. | No reference |
| Ki (functional) | = 4.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: PRKCQ | ChEMBL. | No reference |
| Ki (functional) | = 4.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3A | ChEMBL. | No reference |
| Ki (functional) | = 4.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK9 | ChEMBL. | No reference |
| Ki (functional) | = 4.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: GSK3B | ChEMBL. | No reference |
| Ki (functional) | = 4.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: FLT3 | ChEMBL. | No reference |
| Ki (functional) | = 4.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: DYRK1B | ChEMBL. | No reference |
| Ki (functional) | = 4.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LTK | ChEMBL. | No reference |
| Ki (functional) | = 5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K2 | ChEMBL. | No reference |
| Ki (functional) | = 5.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAPK8 | ChEMBL. | No reference |
| Ki (functional) | = 5.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CSNK1A1 | ChEMBL. | No reference |
| Ki (functional) | = 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: MAP2K1 | ChEMBL. | No reference |
| Ki (functional) | = 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: CLK4 | 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: CHEMBL1987815
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.