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
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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 | 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 |
|---|---|---|---|---|
| Brugia malayi | hypothetical protein | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family-like protein | 0.0153 | 1 | 0.5 |
| Leishmania major | cleavage and polyadenylation specificity factor, putative | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase cytoplasmic | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0153 | 1 | 1 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Toxoplasma gondii | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Echinococcus granulosus | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Plasmodium vivax | unspecified product | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | disulfide oxidoreductase, putative | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | beta lactamase-like protein | 0.0153 | 1 | 1 |
| Toxoplasma gondii | metallo-beta-lactamase domain-containing protein | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | glyoxalase II, GloB | 0.0153 | 1 | 1 |
| Plasmodium vivax | hydroxyacyl glutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | A-type flavoprotein | 0.0153 | 1 | 1 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Chlamydia trachomatis | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Onchocerca volvulus | Putative hydrolase PNKD | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Echinococcus multilocularis | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Brugia malayi | Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site. | 0.0153 | 1 | 1 |
| Plasmodium falciparum | cytosolic glyoxalase II | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Echinococcus granulosus | ETHE1 protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Trypanosoma brucei | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Onchocerca volvulus | Hydroxyacylglutathione hydrolase, mitochondrial homolog | 0.0153 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 0.5 |
| Treponema pallidum | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | apoptosis inducing factor, putative | 0.0153 | 1 | 1 |
| Trypanosoma brucei | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Trypanosoma brucei | cleavage and polyadenylation specificity factor subunit, putative | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | metallo-beta-lactamase superfamily hydrolase | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family protein-like protein | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Giardia lamblia | Metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Echinococcus granulosus | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | ETHE1 protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Echinococcus granulosus | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Beta lactamase like protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | POSSIBLE HYDROLASE | 0.0153 | 1 | 1 |
| Trypanosoma brucei | glyoxalase II | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | Beta-lactamase-like protein | 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 |
| Leishmania major | hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative | 0.0153 | 1 | 0.5 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0145 | 0.9298 | 0.9298 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | Zn-dependent glyoxylase | 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.