Detailed information for compound 1492327
Basic information
Technical information
- Name: Unnamed compound
- MW: 320.388 | Formula: C19H20N4O
-
H donors: 3
H acceptors: 3
LogP: 3.29
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1ccccc1c1nc(N[C@@H]2CCCNC2)c2c(n1)cccc2
- InChi: 1S/C19H20N4O/c24-17-10-4-2-8-15(17)19-22-16-9-3-1-7-14(16)18(23-19)21-13-6-5-11-20-12-13/h1-4,7-10,13,20,24H,5-6,11-12H2,(H,21,22,23)/t13-/m1/s1
- InChiKey: UGTPIQQHQARTPY-CYBMUJFWSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | checkpoint kinase 2 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Echinococcus granulosus | ETHE1 protein | 0.0153 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.0153 | 1 | 0.5 |
| Echinococcus granulosus | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Echinococcus granulosus | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | A-type flavoprotein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Onchocerca volvulus | Putative hydrolase PNKD | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0153 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium leprae | POSSIBLE HYDROLASE | 0.0153 | 1 | 1 |
| Trypanosoma brucei | cleavage and polyadenylation specificity factor subunit, putative | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family protein-like protein | 0.0153 | 1 | 0.5 |
| Schistosoma mansoni | hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) | 0.0153 | 1 | 1 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Leishmania major | cleavage and polyadenylation specificity factor, putative | 0.0153 | 1 | 0.5 |
| Plasmodium vivax | hydroxyacyl glutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Echinococcus multilocularis | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | metallo-beta-lactamase superfamily hydrolase | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Trypanosoma brucei | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase cytoplasmic | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Echinococcus granulosus | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | glyoxalase II, GloB | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | Zn-dependent glyoxylase | 0.0153 | 1 | 1 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Giardia lamblia | Metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | disulfide oxidoreductase, putative | 0.0153 | 1 | 1 |
| Chlamydia trachomatis | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | beta lactamase-like protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Leishmania major | hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Treponema pallidum | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Toxoplasma gondii | metallo-beta-lactamase domain-containing protein | 0.0153 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | ETHE1 protein | 0.0153 | 1 | 1 |
| Toxoplasma gondii | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Trypanosoma brucei | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family-like protein | 0.0153 | 1 | 0.5 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Trypanosoma brucei | glyoxalase II | 0.0153 | 1 | 0.5 |
| Plasmodium falciparum | cytosolic glyoxalase II | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | Beta-lactamase-like protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Onchocerca volvulus | Hydroxyacylglutathione hydrolase, mitochondrial homolog | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Brugia malayi | Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | apoptosis inducing factor, putative | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0145 | 0.9298 | 0.9298 |
| Mycobacterium tuberculosis | Beta lactamase like protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 0.18 uM | Inhibition of CHK2 by DELFIA assay | ChEMBL. | 21186793 |
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: CHEMBL1650100
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.