Detailed information for compound 1488005
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-/m0/s1
- InChiKey: UGTPIQQHQARTPY-ZDUSSCGKSA-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 |
|---|---|---|---|---|
| Mycobacterium leprae | POSSIBLE HYDROLASE | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Onchocerca volvulus | Putative hydrolase PNKD | 0.0153 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | Zn-dependent glyoxylase | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | beta lactamase-like protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Echinococcus granulosus | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Toxoplasma gondii | metallo-beta-lactamase domain-containing protein | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | apoptosis inducing factor, putative | 0.0153 | 1 | 1 |
| Trypanosoma brucei | glyoxalase II | 0.0153 | 1 | 0.5 |
| Plasmodium falciparum | cytosolic glyoxalase II | 0.0153 | 1 | 0.5 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | type A flavoprotein, putative | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Mycobacterium leprae | Beta-lactamase-like protein | 0.0153 | 1 | 1 |
| Echinococcus granulosus | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Echinococcus granulosus | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family protein-like protein | 0.0153 | 1 | 0.5 |
| Plasmodium vivax | unspecified product | 0.0153 | 1 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0153 | 1 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | metallo-beta-lactamase superfamily hydrolase | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | A-type flavoprotein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Onchocerca volvulus | Hydroxyacylglutathione hydrolase, mitochondrial homolog | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Possible hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | glyoxalase II | 0.0153 | 1 | 0.5 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II) | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | disulfide oxidoreductase, putative | 0.0153 | 1 | 1 |
| Giardia lamblia | Hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Echinococcus granulosus | ETHE1 protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 0.5 |
| Leishmania major | hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative | 0.0153 | 1 | 0.5 |
| Plasmodium vivax | hydroxyacyl glutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Trypanosoma brucei | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Trichomonas vaginalis | beta lactamase domain, putative | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Mycobacterium leprae | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Leishmania major | metallo-beta-lactamase family-like protein | 0.0153 | 1 | 0.5 |
| Mycobacterium tuberculosis | Conserved protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Leishmania major | cleavage and polyadenylation specificity factor, putative | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | hypothetical protein | 0.0153 | 1 | 1 |
| Mycobacterium ulcerans | glyoxalase II, GloB | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase superfamily, putative | 0.0153 | 1 | 0.5 |
| Onchocerca volvulus | 0.0153 | 1 | 1 | |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | hypothetical protein, conserved | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase cytoplasmic | 0.0153 | 1 | 0.5 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | zinc phosphodiesterase | 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 |
| Mycobacterium tuberculosis | Beta lactamase like protein | 0.0153 | 1 | 1 |
| Echinococcus granulosus | metallo beta lactamase domain containing protein | 0.0153 | 1 | 1 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Giardia lamblia | Metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Brugia malayi | metallo-beta-lactamase superfamily protein | 0.0153 | 1 | 1 |
| Trypanosoma brucei | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Echinococcus multilocularis | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Schistosoma mansoni | zinc phosphodiesterase | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma brucei | cleavage and polyadenylation specificity factor subunit, putative | 0.0153 | 1 | 0.5 |
| Echinococcus multilocularis | Transglutaminase | 0.0145 | 0.9298 | 0.9298 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Treponema pallidum | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hydrolase | 0.0153 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0153 | 1 | 0.5 |
| Schistosoma mansoni | hypothetical protein | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | hydroxyacylglutathione hydrolase, putative | 0.0153 | 1 | 0.5 |
| Chlamydia trachomatis | ribonuclease Z | 0.0153 | 1 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0153 | 1 | 1 |
| Echinococcus multilocularis | ETHE1 protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | metallo-beta-lactamase family protein | 0.0153 | 1 | 1 |
| Entamoeba histolytica | alkyl sulfatase, putative | 0.0153 | 1 | 1 |
| Trypanosoma cruzi | metallo-beta-lactamase-like protein, putative | 0.0153 | 1 | 0.5 |
| Toxoplasma gondii | hydroxyacylglutathione hydrolase | 0.0153 | 1 | 0.5 |
| Mycobacterium ulcerans | hypothetical 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 | conserved hypothetical protein | 0.0153 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0145 | 0.9298 | 0.9298 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (binding) | = 1.3 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: CHEMBL1649589
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.