Detailed information for compound 1586195
Basic information
Technical information
- Name: Unnamed compound
- MW: 311.127 | Formula: C11H8Cl2N6O
-
H donors: 2
H acceptors: 5
LogP: 2.21
Rotable bonds: 2
Rule of 5 violations (Lipinski): 1 - SMILES: Nc1nc(O)c2c(n1)n(nn2)Cc1ccc(c(c1)Cl)Cl
- InChi: 1S/C11H8Cl2N6O/c12-6-2-1-5(3-7(6)13)4-19-9-8(17-18-19)10(20)16-11(14)15-9/h1-3H,4H2,(H3,14,15,16,20)
- InChiKey: SFMWKHDNKKSIFL-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 | polymerase (DNA directed) iota | Starlite/ChEMBL | No 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 |
|---|---|---|---|---|
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 1 | 0.5 |
| Echinococcus granulosus | dna polymerase eta | 0.0023 | 1 | 0.5 |
| Trichomonas vaginalis | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trichomonas vaginalis | DNA polymerase IV / kappa, putative | 0.0023 | 1 | 0.5 |
| Echinococcus multilocularis | dna polymerase kappa | 0.0023 | 1 | 0.5 |
| Echinococcus granulosus | dna polymerase kappa | 0.0023 | 1 | 0.5 |
| Schistosoma mansoni | terminal deoxycytidyl transferase | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 1 | 0.5 |
| Echinococcus multilocularis | terminal deoxycytidyl transferase rev1 | 0.0023 | 1 | 0.5 |
| Schistosoma mansoni | rab geranylgeranyl transferase alpha subunit | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | unspecified product | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase IV, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Echinococcus granulosus | terminal deoxycytidyl transferase rev1 | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0023 | 1 | 0.5 |
| Leishmania major | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Trypanosoma brucei | DNA polymerase kappa, putative | 0.0023 | 1 | 1 |
| Loa Loa (eye worm) | ImpB/MucB/SamB family protein | 0.0023 | 1 | 0.5 |
| Giardia lamblia | DINP protein human, muc B family | 0.0023 | 1 | 0.5 |
| Schistosoma mansoni | DNA polymerase eta | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Echinococcus multilocularis | dna polymerase eta | 0.0023 | 1 | 0.5 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 1 | 0.5 |
| Trypanosoma cruzi | DNA polymerase kappa, putative | 0.0023 | 1 | 0.5 |
| Leishmania major | DNA polymerase eta, putative | 0.0023 | 1 | 0.5 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0023 | 1 | 0.5 |
| Leishmania major | DNA polymerase kappa, putative,DNA polymerase IV, putative | 0.0023 | 1 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] | 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: CHEMBL1889927
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.